SCHEMBL11315249

SCHEMBL11315249

CNC(=S)NCCOCc1nc2ccccc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.47
PKM P14618 1/20 0.47
SMN1; SMN2 Q16637 7/20 0.46
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
LMNA P02545 2/20 0.46
KDM4E B2RXH2 3/20 0.45
MAPT P10636 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HSD17B10 Q99714 1/20 0.45
DDAH1 O94760 1/20 0.44

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
SCHEMBL11317304 0.93 HTT (0.45) HTTPKMSMN1; SMN2NPC1RAB9A
SCHEMBL11325940 0.80 PKM (0.56) HTTPKMSMN1; SMN2RAB9ATSHR
SCHEMBL11310633 0.79 HTT (0.57) HTTPKMSMN1; SMN2TSHRLMNA
SCHEMBL11448643 0.79 HTT (0.45) HTTPKMSMN1; SMN2NPC1RAB9A
SCHEMBL11317772 0.78 SMN1; SMN2 (0.51) HTTPKMSMN1; SMN2NPC1RAB9A
SCHEMBL11319210 0.78 PKM (0.53) HTTPKMSMN1; SMN2RAB9ALMNA
SCHEMBL19540734 0.78 BCHE (0.64) HTTPKMSMN1; SMN2NPC1RAB9A
SCHEMBL11311205 0.77 HTT (0.52) HTTPKMSMN1; SMN2LMNAKDM4E
SCHEMBL11175747 0.76 HTT (0.45) HTTPKMSMN1; SMN2RAB9ATSHR
SCHEMBL11479351 0.76 KDM4E (0.46) HTTPKMSMN1; SMN2RAB9ALMNA

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