SCHEMBL11324974

SCHEMBL11324974

CNC(=S)NCCOCc1cccnn1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
RAB9A P51151 1/20 0.38
PKM P14618 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
KDM4E B2RXH2 2/20 0.37
POLB P06746 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.35
MTNR1B P49286 2/20 0.35
MTNR1A P48039 2/20 0.35
GAA P10253 3/20 0.34
ACHE P22303 1/20 0.34
HTT P42858 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
QPCT Q16769 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL11329962 0.78 CYP2C9 (0.38) LMNAKDM4ECTDSP1MTNR1BMTNR1A
SCHEMBL11311421 0.76 SMN1; SMN2 (0.40) ALDH1A1LMNAKDM4EGAAHTT
SCHEMBL11327125 0.76 QPCT (0.38) QPCT
SCHEMBL11318972 0.76 POLB (0.43) ALDH1A1LMNAL3MBTL1RAB9APKM
SCHEMBL11318824 0.75 LMNA (0.38) ALDH1A1LMNAL3MBTL1RAB9APKM
SCHEMBL11317194 0.75 LMNA (0.36) ALDH1A1LMNAKDM4ECTDSP1MTNR1B
SCHEMBL11328857 0.74 HRH2 (0.37) ALDH1A1LMNAL3MBTL1RAB9APKM
SCHEMBL11327142 0.74 LMNA (0.38) ALDH1A1LMNAL3MBTL1RAB9AKDM4E
SCHEMBL11178735 0.74 CTDSP1 (0.34) LMNARAB9AKDM4ECTDSP1MTNR1B
SCHEMBL11105143 0.71 HRH2 (0.37) ALDH1A1LMNAL3MBTL1RAB9APKM

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