SCHEMBL8907411

SCHEMBL8907411

CCCCc1nc2ccc(N3CCCC3=O)cc2n1-c1cccc(-c2ccccc2-c2nnn[nH]2)c1C

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
PARP1 P09874 2/20 0.33
HSD17B10 Q99714 1/20 0.33
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
TNKS O95271 1/20 0.32
TP53 P04637 1/20 0.31

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
SCHEMBL8905610 0.98 BRD9 (0.32) ALDH1A1LMNAMAPK1
SCHEMBL8906880 0.93 BRD9 (0.33) PARP1TSHRSMN1; SMN2
SCHEMBL8905932 0.91 BRD9 (0.34) PARP1TSHRSMN1; SMN2TNKS
SCHEMBL8907406 0.86 LMNA (0.33) LMNAMAPK1TP53
SCHEMBL8906568 0.85 ALDH1A1 (0.32) ALDH1A1LMNAMAPK1
SCHEMBL8905606 0.84
SCHEMBL8905232 0.84
SCHEMBL8906496 0.83 HSD17B10 (0.30) HSD17B10
SCHEMBL8907048 0.82 AGTR1 (0.42) ALDH1A1
SCHEMBL8788274 0.81 AGTR1 (0.49)

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