SCHEMBL9866161

SCHEMBL9866161

NCCSCc1nc2ccccc2[nH]1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.67
NPC1 O15118 7/20 0.67
RAB9A P51151 7/20 0.67
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
ALDH1A1 P00352 3/20 0.60
GAA P10253 1/20 0.60
THRB P10828 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
CYP1A2 P05177 2/20 0.59
CYP3A4 P08684 2/20 0.59
CYP2D6 P10635 2/20 0.59
CYP2C9 P11712 2/20 0.59
CYP2C19 P33261 2/20 0.59
LMNA P02545 5/20 0.59
HTT P42858 3/20 0.59
HPGD P15428 2/20 0.59
MAPT P10636 1/20 0.59
POLB P06746 2/20 0.54
DDAH1 O94760 1/20 0.54

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Bromide SCHEMBL11317742 0.98 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL3079520 0.88 SMN1; SMN2 (0.83) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL10769383 0.81 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL3065316 0.80 SMN1; SMN2 (0.69) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL11330149 0.79 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL524002 0.79 POLB (0.72) NPC1RAB9AGAAPOLBDDAH1
SCHEMBL29620366 0.79 POLB (0.72) NPC1RAB9AGAAPOLBDDAH1
SCHEMBL29450860 0.78 DDAH1 (0.66) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL73225 0.78 DDAH1 (0.66) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL10770893 0.78 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5021431-A H-1 antagonist, h-2 agonist for treating hypertension, cardiac disease or arterial occlusion HEUMANN PHARMA GMBH & CO. (DE) 1991-06-04 US disclosed
EP-0199845-B1 IMIDAZOLYLALKYLGUANIDIN DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM HEUMANN PHARMA GMBH & CO (DE) 1990-08-01 EP disclosed
EP-0226016-A1 Process for inhibiting hydrogen-induced corrosion of metallic materials BAYER AG (DE) 1987-06-24 EP disclosed
EP-0199845-A1 Imidazolylalkylguanidin derivatives, process for their preparation and pharmaceutical compositions containing them HEUMANN PHARMA GMBH & CO (DE) 1986-11-05 EP disclosed
US-4413130-A INHIBITORS OF HISTAMINE H-2 RECEPTORS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1983-11-01 US disclosed
US-4338328-A HISTAMINE H-2 RECEPTOR ANTAGONISTS SMITHKLINE & FRENCH LABORATORIES LIMITED (GB) 1982-07-06 US disclosed
US-4307101-A ANTIHISTAMINES AND ANTISECRETORY AGENTS OF THE THIOUREA OR UREA DERIVATIVES 5,6,7,8-TETRAHYDROIMIDAZO(1,5A)PYRIDINE SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-12-22 US disclosed
US-4293699-A CONTAINING A BENZIMIDAZOLE OR 3-/5,6,7,8-TETRAHYDROIMIDAZO(1,5A)PYRIDINE, ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-10-06 US disclosed
US-4293697-A ANTIHISTAMINES SMITH, KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-10-06 US disclosed
US-4287198-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-09-01 US disclosed
US-4140783-A INHIBITORS OF HISTAMINE H-2 RECEPTORS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-02-20 US disclosed
US-4137234-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-01-30 US disclosed
US-4137237-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-01-30 US disclosed
US-4070475-A THIOALKYL-, AMINOALKYL-, AND OXYALKYL- SUBSTITUTED GUANIDINES SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1978-01-24 US disclosed
US-4056620-A INHIBITION OF HISTAMINE H-2 RECEPTORS SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-11-01 US disclosed
US-4024271-A INHIBITORS OF HISTAMINE ACTIVITY SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-05-17 US disclosed
US-4022797-A PHARMACEUTICALS SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-05-10 US disclosed
US-4018931-A INHIBITION OF H-2 HISTAMINE RECEPTORS SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-04-19 US disclosed
US-3950353-A HISTAMINE INHIBITORS SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1976-04-13 US disclosed
US-3950333-A HISTAMINE INHIBITORS, OXYALKYL, THIOALKYL, AMINOALKYL DERIVATIVES SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1976-04-13 US disclosed