SCHEMBL9435181

SCHEMBL9435181

O=c1c2ccccc2n(-c2ccccc2)n1C1CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PGR P06401 4/20 0.41
MAPK1 P28482 1/20 0.39
MAPK8 P45983 2/20 0.39
KMT2A Q03164 3/20 0.38
MAPK9 P45984 1/20 0.38
HTR3E A5X5Y0 3/20 0.38
HTR3B O95264 3/20 0.38
HTR3A P46098 3/20 0.38
HTR3D Q70Z44 3/20 0.38
HTR3C Q8WXA8 3/20 0.38
KDM4E B2RXH2 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 1/20 0.36
GRM4 Q14833 1/20 0.36
DRD1 P21728 1/20 0.35
DRD5 P21918 1/20 0.35
MEN1 O00255 1/20 0.35
TSHR P16473 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
SCHEMBL9435157 0.94 PGR (0.43) PGRMAPK1MAPK8KMT2AMAPK9
SCHEMBL14023791 0.80 KDM4E (0.44) PGRMAPK1MAPK8KMT2AKDM4E
SCHEMBL29062452 0.76 PGR (0.50) PGRMAPK1MAPK8KMT2AMAPK9
SCHEMBL11374541 0.76 RXFP1 (0.45) MAPK1KMT2AKDM4EL3MBTL1ALDH1A1
SCHEMBL9434645 0.72 PGR (0.54) PGRMAPK1MAPK8KMT2AKDM4E
SCHEMBL11379378 0.71 ALOX15 (0.45) MAPK1KMT2AKDM4EATMALDH1A1
SCHEMBL11384047 0.69 RXFP1 (0.42) MAPK1KMT2AHTR3AKDM4EALDH1A1
SCHEMBL6884230 0.68 PGR (0.54) PGRMAPK1MAPK8KMT2AKDM4E
SCHEMBL9435161 0.68 PGR (0.54) PGRMAPK1MAPK8KMT2AMAPK9
SCHEMBL14023608 0.67 MAPK8 (0.39) MAPK1MAPK8KDM4EL3MBTL1ALDH1A1

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