SCHEMBL9694537

SCHEMBL9694537

NC1C=CCC2CN(c3c(F)cc4c(=O)c(OC(=O)O)cn(C5CC5)c4c3Cl)CC12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
POLB P06746 2/20 0.53
OPRM1 P35372 2/20 0.53
CHRM2 P08172 1/20 0.53
CHRM1 P11229 1/20 0.53
OPRD1 P41143 1/20 0.53
KDM4E B2RXH2 4/20 0.40
HPGD P15428 4/20 0.40
HSD17B10 Q99714 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
KCNH2 Q12809 5/20 0.38
PRKD3 O94806 1/20 0.37
ALOX15 P16050 1/20 0.37
CLK2 P49760 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 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
Hydrochloric Acid SCHEMBL9694370 0.99 ALDH1A1 (0.52) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9694106 0.92 ALDH1A1 (0.42) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL7955893 0.89 ALDH1A1 (0.67) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL13715941 0.89 ALDH1A1 (0.67) ALDH1A1POLBOPRM1CHRM2CHRM1
Hydrochloric Acid SCHEMBL9139143 0.89 ALDH1A1 (0.66) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9692946 0.88 ALDH1A1 (0.49) ALDH1A1POLBOPRM1CHRM2CHRM1
Hydrochloric Acid SCHEMBL9692928 0.88 ALDH1A1 (0.48) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9046626 0.87 ALDH1A1 (0.53) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9692896 0.87 ALDH1A1 (0.53) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9694110 0.86 ALDH1A1 (0.45) ALDH1A1POLBOPRM1CHRM2CHRM1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0520240-A1 7-Isoindolinyl-quinolone and naphthyridonecarboxylic acid derivatives BAYER AG (DE) 1992-12-30 EP claimed
EP-0520240-A1 7-Isoindolinyl-quinolone and naphthyridonecarboxylic acid derivatives BAYER AG (DE) 1992-12-30 EP disclosed