SCHEMBL8906176

SCHEMBL8906176

CCCCc1nc2ccc(-c3nc4ccccc4o3)cc2n1-c1ccc(-c2ccccc2)c(C#N)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.38
AGTR2 P50052 1/20 0.38
HPGD P15428 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 2/20 0.36
HCRTR1 O43613 2/20 0.36
ALDH1A1 P00352 2/20 0.36
NFKB1 P19838 1/20 0.36
STAT1 P42224 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
PSMB5 P28074 1/20 0.36
TSHR P16473 2/20 0.36
GPR119 Q8TDV5 1/20 0.36

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
SCHEMBL8907287 0.94 AGTR1 (0.36) AGTR1AGTR2HPGDRAB9ASMN1; SMN2
SCHEMBL8905230 0.82 KDM4E (0.35) AGTR1AGTR2HPGDRAB9ASMN1; SMN2
SCHEMBL8906550 0.77 ALDH1A1 (0.41) AGTR1AGTR2HPGDRAB9ASMN1; SMN2
SCHEMBL8907575 0.76 LMNA (0.35) AGTR1AGTR2HPGDRAB9ASMN1; SMN2
SCHEMBL9095319 0.75 PPARG (0.64) AGTR1AGTR2PPARG
SCHEMBL8905237 0.75 KDM4E (0.36) AGTR1AGTR2HPGDRAB9ASMN1; SMN2
SCHEMBL9095098 0.70 PPARG (0.64) AGTR1AGTR2PPARG
SCHEMBL8906831 0.70 ALDH1A1 (0.44) HPGDRAB9ASMN1; SMN2MAPTHTT
SCHEMBL8906713 0.70 AGTR1 (0.45) AGTR1AGTR2NPSR1KDM4EALDH1A1
SCHEMBL9259419 0.70 AGTR1 (0.47) AGTR1AGTR2PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5684029-A HYPOTENSIVE AGENTS KARL THOMAE GMBH (DE) 1997-11-04 US disclosed