SCHEMBL9712252

SCHEMBL9712252

CSc1ccc2c(c1)c(O)c(C#N)c(=O)n2C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
RXFP1 Q9HBX9 3/20 0.39
PRNP P04156 1/20 0.39
EGFR P00533 1/20 0.38
SRC P12931 1/20 0.38
KDM4E B2RXH2 7/20 0.38
LMNA P02545 3/20 0.38
TP53 P04637 1/20 0.36
HIF1A Q16665 1/20 0.36
MAPK1 P28482 2/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 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
SCHEMBL23410902 0.82 MAPT (0.41) ALDH1A1L3MBTL1RXFP1PRNPEGFR
SCHEMBL29892950 0.82 MAPT (0.41) ALDH1A1L3MBTL1RXFP1PRNPEGFR
SCHEMBL23411784 0.81 KDM4E (0.44) ALDH1A1EGFRSRCKDM4EHPGD
SCHEMBL23410095 0.81 GSK3B (0.45) ALDH1A1RXFP1EGFRSRCKDM4E
SCHEMBL25389422 0.81 GSK3B (0.45) ALDH1A1EGFRKDM4EMAPK1HPGD
SCHEMBL17140259 0.78 MAPT (0.49) ALDH1A1L3MBTL1RXFP1EGFRKDM4E
SCHEMBL29891647 0.78 MAPT (0.49) ALDH1A1L3MBTL1RXFP1EGFRKDM4E
SCHEMBL568368 0.77 ALDH1A1 (0.56) ALDH1A1RXFP1PRNPEGFRSRC
SCHEMBL30099730 0.77 ALDH1A1 (0.56) ALDH1A1RXFP1PRNPEGFRSRC
SCHEMBL9197584 0.77 ALDH1A1 (0.47) ALDH1A1L3MBTL1RXFP1KDM4EHIF1A

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
WO-1992018483-A1 QUINOLINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-10-29 WO disclosed