SCHEMBL11210047

SCHEMBL11210047

Cc1cccc(C)c1C=Cc1nc[nH]c1C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.41
RAF1 P04049 2/20 0.36
HRH2 P25021 1/20 0.34
HRH1 P35367 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
TAAR1 Q96RJ0 2/20 0.34
ALOX5 P09917 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
GABRR1 P24046 1/20 0.33
AHR P35869 1/20 0.32
BRD4 O60885 1/20 0.31
CD44 P16070 1/20 0.31
HTR3A P46098 1/20 0.30
ACP1 P24666 1/20 0.30

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
SCHEMBL11205980 0.83 NPC1 (0.46) PARP1RAF1ALOX5TDP1NPC1
SCHEMBL11209825 0.81 PARP1 (0.38) PARP1TAAR1ALOX5TDP1NPC1
SCHEMBL11207361 0.78 ACP1 (0.42) PARP1HRH2HRH1HRH4HRH3
SCHEMBL11210833 0.76 TAAR1 (0.55) RAF1TAAR1ALOX5TDP1NPC1
SCHEMBL11207941 0.74 TAAR1 (0.39) PARP1HRH2HRH1HRH4HRH3
SCHEMBL11205137 0.74 PARP1 (0.36) PARP1TAAR1ALOX5ACP1
SCHEMBL10790690 0.73 TAAR1 (0.38) PARP1HRH2HRH1HRH4HRH3
SCHEMBL11208607 0.72 TUBB1 (0.41) TAAR1ALOX5TDP1NPC1RAB9A
SCHEMBL11204477 0.71 MAPT (0.43) TAAR1NPC1RAB9APOLBMAPT
SCHEMBL11208575 0.71 ALOX5 (0.45) PARP1ALOX5TDP1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0034474-B1 SUBSTITUTED IMIDAZOLES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Farmos-Yhtyma Oy (FI) 1983-01-26 EP disclosed
US-4333947-A HYPOTENSIVE AGENTS, BACTERICIDES, FUNGICIDES FARMOS-YHTYMA OY (FI) 1982-06-08 US disclosed
EP-0034474-A1 Substituted imidazoles, their preparation and pharmaceutical compositions containing the same Farmos-Yhtyma Oy (FI) 1981-08-26 EP disclosed