SCHEMBL11329962

SCHEMBL11329962

CNC(=S)NCCNCc1cccnn1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.38
NAMPT P43490 1/20 0.38
VNN1 O95497 1/20 0.36
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.35
SLC40A1 Q9NP59 2/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
QPCT Q16769 1/20 0.34
HTT P42858 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
CYP1A2 P05177 1/20 0.33
HRH2 P25021 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL11327125 0.92 QPCT (0.38) CYP2C9NAMPTQPCTHRH2HRH4
SCHEMBL11328780 0.84 KMT2A (0.40) CYP2C9NAMPTLMNAKDM4E
SCHEMBL11310667 0.83 CYP2C9 (0.46) CYP2C9NAMPTVNN1LMNASLC40A1
SCHEMBL11699107 0.82 NPSR1 (0.45) LMNAKDM4EHTTMTNR1AMTNR1B
Hydrochloric Acid SCHEMBL11371025 0.82 CYP2C9 (0.38) CYP2C9NAMPTVNN1LMNASLC40A1
SCHEMBL11698467 0.81 CHRM2 (0.54) LMNACYP1A2HRH3
SCHEMBL11311382 0.78 LMNA (0.36) LMNAKDM4EQPCTHTTMTNR1A
SCHEMBL11324974 0.78 ALDH1A1 (0.38) LMNAKDM4ECTDSP1QPCTHTT
SCHEMBL11311421 0.78 SMN1; SMN2 (0.40) CYP2C9LMNAKDM4EHTTCYP1A2
SCHEMBL11314821 0.77 LMNA (0.35) LMNAKDM4EQPCTHTTMTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-4230865-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-10-28 US disclosed
US-4228291-A INHIBITORS OF HISTAMINE ACTIVITY SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-10-14 US disclosed
US-4226874-A ANTIHISTAMINES, ANTISECRETORY AGENTS, GASTRIC JUICE SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-10-07 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-4151288-A ANTHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-04-24 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-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