SCHEMBL11329985

SCHEMBL11329985

CNC(=S)NCCNCc1nccnc1N

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 11/20 0.48
QPCT Q16769 1/20 0.35
HRH2 P25021 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 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
SCHEMBL11310603 0.89 QPCT (0.39) MAPKAPK2QPCTHRH2KDM4ELMNA
SCHEMBL11326312 0.84 QPCT (0.35) MAPKAPK2QPCTHRH2KDM4ELMNA
SCHEMBL11326134 0.84 QPCT (0.35) MAPKAPK2QPCTHRH2KDM4ELMNA
SCHEMBL11327070 0.82 QPCT (0.35) MAPKAPK2QPCTHRH2KDM4ELMNA
SCHEMBL11703116 0.82 MAPKAPK2 (0.36) MAPKAPK2QPCTKDM4ELMNA
SCHEMBL11326279 0.77 MAPKAPK2 (0.40) MAPKAPK2QPCTLMNA
SCHEMBL11700099 0.77 ALDH1A1 (0.42) KDM4ELMNA
SCHEMBL11700022 0.77 PKM (0.44) KDM4E
SCHEMBL11702679 0.76 PKM (0.35) QPCTKDM4ELMNA
SCHEMBL11373122 0.76 MAPKAPK2 (0.34) MAPKAPK2

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