SCHEMBL10742909

SCHEMBL10742909

Cc1cc(=O)c2cc(F)ccc2n1C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
MEN1 O00255 1/20 0.43
HCRTR1 O43613 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 6/20 0.42
ALDH1A1 P00352 6/20 0.42
HSP90AA1 P07900 1/20 0.39
HPGD P15428 4/20 0.39
HSD17B10 Q99714 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
DHFR P00374 1/20 0.39
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
SRC P12931 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
GRM4 Q14833 1/20 0.36

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
SCHEMBL10084720 0.81 KDM4E (0.47) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL18415626 0.78 KIF11 (0.47) MEN1KMT2AKDM4EHSP90AA1HSD17B10
SCHEMBL31563113 0.77 ATM (0.42) ATMKEAP1NFE2L2MEN1HCRTR1
SCHEMBL8140534 0.76 ATM (0.53) ATMMEN1HCRTR1KMT2AKDM4E
SCHEMBL7489417 0.76 HPGD (0.61) ATMKMT2AKDM4EALDH1A1HPGD
SCHEMBL15564817 0.75 NQO2 (0.61) ATMMEN1HCRTR1KMT2AKDM4E
SCHEMBL31563337 0.74 KDM4E (0.41) ATMKEAP1NFE2L2MEN1HCRTR1
SCHEMBL13925420 0.74 ATM (0.67) ATMMEN1HCRTR1KMT2AKDM4E
SCHEMBL27344753 0.73 MAPT (0.63) MEN1KMT2AALDH1A1SMN1; SMN2NPSR1
SCHEMBL8040679 0.73 ALDH1A1 (0.56) MEN1HCRTR1KMT2AKDM4EALDH1A1

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-4678781-A BACTERICIDAL ANTIBIOTICS ICI PHARMA (FR) 1987-07-07 US disclosed