SCHEMBL11315544

SCHEMBL11315544

CNC(=S)NCCNCc1cc(C)on1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
EPHX2 P34913 1/20 0.40
GAA P10253 3/20 0.38
CYP2C19 P33261 1/20 0.38
HRH2 P25021 2/20 0.35
HRH4 Q9H3N8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 2/20 0.35
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
EGFR P00533 1/20 0.34

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
SCHEMBL11315041 0.78 ALDH1A1 (0.39) KDM4EALDH1A1EPHX2GAACYP2C19
SCHEMBL11321643 0.76 LMNA (0.36) KDM4EHRH2HRH4HRH3LMNA
SCHEMBL11325960 0.75 LMNA (0.41) KDM4EALDH1A1GAAHRH2HRH4
SCHEMBL11329927 0.75 LMNA (0.36) KDM4EHRH2HRH4HRH3LMNA
SCHEMBL11326228 0.75 HRH2 (0.36) KDM4ECYP2C19HRH2HRH4HRH3
SCHEMBL11325911 0.74 HRH2 (0.38) KDM4EHRH2HRH4HRH3LMNA
SCHEMBL11314904 0.74 LMNA (0.33) KDM4EHRH2HRH4HRH3LMNA
SCHEMBL11703400 0.74 PHGDH (0.47) KDM4EALDH1A1GAAHRH2HRH4
SCHEMBL3432057 0.74 EPHX2 (0.42) KDM4EALDH1A1EPHX2GAACYP2C19
SCHEMBL11311681 0.74 HRH2 (0.37) KDM4EALDH1A1HRH2HRH4HRH3

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 8 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-4293697-A ANTIHISTAMINES SMITH, KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-10-06 US disclosed
US-4230865-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-10-28 US disclosed
US-4226874-A ANTIHISTAMINES, ANTISECRETORY AGENTS, GASTRIC JUICE SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-10-07 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-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