SCHEMBL8905587

SCHEMBL8905587

CCCCc1nc2ccc(NC(=O)c3cc4ccccc4o3)cc2n1-c1ccc(-c2ccccc2)c(C(=O)O)c1C

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.51
ALDH1A1 P00352 3/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MAPK1 P28482 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TP53 P04637 2/20 0.42
ATM Q13315 1/20 0.42
USP2 O75604 1/20 0.42
S1PR2 O95136 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL8906799 0.86 AGTR1 (0.43) MAPT
SCHEMBL8905596 0.85 MAPT (0.51) MAPTSMN1; SMN2KDM4EHPGD
SCHEMBL8905218 0.79 AGTR1 (0.44)
SCHEMBL8905483 0.79 AGTR1 (0.38)
SCHEMBL8905446 0.79 AGTR1 (0.38)
Trifluoroacetic Acid SCHEMBL8905360 0.78 AGTR1 (0.40) ALDH1A1SMN1; SMN2RAB9AKDM4EHPGD
SCHEMBL8905624 0.78 AGTR1 (0.37)
SCHEMBL8907023 0.77 AGTR1 (0.44)
SCHEMBL8788819 0.77 AGTR1 (0.67)
Water SCHEMBL8907804 0.77 AGTR1 (0.44)

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