SCHEMBL8907287

SCHEMBL8907287

CCCCc1nc2cc(-c3nc4ccccc4o3)ccc2n1-c1ccc(-c2ccccc2)c(C#N)c1C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.36
AGTR2 P50052 1/20 0.36
TSHR P16473 1/20 0.36
TP53 P04637 1/20 0.35
HPSE Q9Y251 1/20 0.35
P2RY14 Q15391 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL8906176 0.94 AGTR1 (0.38) AGTR1AGTR2TSHRTP53ALDH1A1
SCHEMBL8905230 0.76 KDM4E (0.35) AGTR1AGTR2TSHRTP53ALDH1A1
SCHEMBL9095098 0.75 PPARG (0.64) AGTR1AGTR2
SCHEMBL8907575 0.71 LMNA (0.35) AGTR1AGTR2ALDH1A1MAPTHPGD
SCHEMBL9095319 0.70 PPARG (0.64) AGTR1AGTR2
SCHEMBL8906550 0.70 ALDH1A1 (0.41) AGTR1AGTR2TSHRTP53ALDH1A1
SCHEMBL8905237 0.69 KDM4E (0.36) AGTR1AGTR2TSHRTP53ALDH1A1
SCHEMBL2687005 0.67 KDM4E (0.47) TSHRTP53ALDH1A1MAPTHPGD
SCHEMBL28265565 0.67 KDM4E (0.54) TSHRTP53P2RY14ALDH1A1MAPT
SCHEMBL22746649 0.67 NPC1 (0.37) TSHRTP53HPSEALDH1A1MAPT

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