SCHEMBL9435157

SCHEMBL9435157

O=c1c2ccccc2n(-c2ccccc2)n1C1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 4/20 0.43
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 5/20 0.41
NPSR1 Q6W5P4 4/20 0.41
CRHBP P24387 2/20 0.41
CRHR2 Q13324 2/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 2/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
DRD1 P21728 2/20 0.40
DRD5 P21918 2/20 0.40
MAPK8 P45983 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GRM4 Q14833 1/20 0.39
MAPK9 P45984 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL9435181 0.94 PGR (0.41) PGRKDM4EALDH1A1MAPK1TSHR
SCHEMBL14023791 0.86 KDM4E (0.44) PGRKDM4EALDH1A1NPSR1CRHBP
SCHEMBL11379378 0.76 ALOX15 (0.45) KDM4EALDH1A1NPSR1CRHBPCRHR2
SCHEMBL29062452 0.74 PGR (0.50) PGRKDM4EALDH1A1NPSR1MAPK1
SCHEMBL14023608 0.74 MAPK8 (0.39) KDM4EALDH1A1NPSR1CRHBPCRHR2
SCHEMBL14023674 0.74 ALDH1A1 (0.37) KDM4EALDH1A1NPSR1CRHBPCRHR2
SCHEMBL14023660 0.74 NPSR1 (0.36) KDM4EALDH1A1NPSR1CRHBPCRHR2
SCHEMBL23401070 0.73 BCHE (0.53) KDM4EALDH1A1NPSR1GAAALOX15
SCHEMBL4789265 0.72 HSD17B10 (0.43) KDM4EALDH1A1NPSR1SMN1; SMN2GAA
SCHEMBL23402467 0.72 BCHE (0.51) KDM4EALDH1A1NPSR1GAAALOX15

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-1994024109-A1 INDAZOLE DERIVATIVES AND ANTIVIRAL DRUGS THAT CONTAIN THEM BOEHRINGER MANNHEIM GMBH (DE) 1994-10-27 WO disclosed