SCHEMBL11364451

SCHEMBL11364451

CN=C(NC#N)NCCCSc1nc2ccccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ LMNA P02545 5/20 0.52
▸ BCHE P06276 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ EPHX2 P34913 1/20 0.49
▸ AR P10275 2/20 0.48
▸ MAPT P10636 3/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ HRH4 Q9H3N8 1/20 0.46
▸ HTT P42858 1/20 0.46

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
SCHEMBL11364449 1.00 NPC1 (0.53) NPC1RAB9ALMNABCHEALDH1A1
SCHEMBL11364456 0.84 BCHE (0.54) NPC1RAB9ALMNABCHEALDH1A1
SCHEMBL11364847 0.81 BCHE (0.56) RAB9ABCHESMN1; SMN2HRH4
SCHEMBL11364822 0.81 BCHE (0.56) RAB9ABCHESMN1; SMN2HRH4
SCHEMBL11363162 0.79 PKM (0.47) RAB9ALMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL11363619 0.79 SMN1; SMN2 (0.53) NPC1RAB9ALMNABCHEALDH1A1
SCHEMBL11363159 0.79 PKM (0.47) RAB9ALMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL11363616 0.79 SMN1; SMN2 (0.53) NPC1RAB9ALMNABCHEALDH1A1
SCHEMBL11361020 0.78 SMN1; SMN2 (0.47) LMNABCHESMN1; SMN2MAPTKMT2A
SCHEMBL11360982 0.78 SMN1; SMN2 (0.47) LMNABCHESMN1; SMN2MAPTKMT2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-4287198-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-09-01 — — US disclosed
US-4228291-A INHIBITORS OF HISTAMINE ACTIVITY SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-10-14 — — US disclosed
US-4221802-A Pharmacologically active guanidine compounds for inhibiting H-2 histamine receptors SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-09-09 — — US disclosed
US-4154844-A ANTIHISTAMINE, GASTRIC JUICE ANTISECRETORY AGENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-05-15 — — 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-4022797-A PHARMACEUTICALS SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-05-10 — — US disclosed
US-3950333-A HISTAMINE INHIBITORS, OXYALKYL, THIOALKYL, AMINOALKYL DERIVATIVES SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1976-04-13 — — US disclosed
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