SCHEMBL9670909

SCHEMBL9670909

COc1ccc(C2CN(c3c(F)cc4c(=O)c(OC(=O)O)cn(C5CC5)c4c3Cl)CCN2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.51
ALDH1A1 P00352 7/20 0.51
HPGD P15428 6/20 0.51
KCNH2 Q12809 4/20 0.51
HSD17B10 Q99714 4/20 0.51
POLB P06746 3/20 0.51
OPRM1 P35372 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
PRKD3 O94806 1/20 0.51
ALOX15 P16050 1/20 0.51
CLK2 P49760 1/20 0.51
CLK4 Q9HAZ1 1/20 0.51
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
OPRD1 P41143 1/20 0.49
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 2/20 0.39
GSK3B P49841 2/20 0.39
CYP2C19 P33261 1/20 0.38

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
SCHEMBL8433502 0.92 KDM4E (0.62) KDM4EALDH1A1HPGDKCNH2HSD17B10
SCHEMBL9636182 0.92 KDM4E (0.56) KDM4EALDH1A1HPGDKCNH2HSD17B10
SCHEMBL9636153 0.89 ALDH1A1 (0.53) KDM4EALDH1A1HPGDKCNH2HSD17B10
SCHEMBL9671706 0.87 ALDH1A1 (0.49) KDM4EALDH1A1HPGDKCNH2HSD17B10
SCHEMBL10510794 0.85 KDM4E (0.64) KDM4EALDH1A1HPGDKCNH2HSD17B10
SCHEMBL8437582 0.84 KDM4E (0.67) KDM4EALDH1A1HPGDKCNH2HSD17B10
SCHEMBL10863653 0.83 KDM4E (0.53) KDM4EALDH1A1HPGDKCNH2HSD17B10
SCHEMBL9634837 0.83 ALDH1A1 (0.49) KDM4EALDH1A1HPGDKCNH2HSD17B10
SCHEMBL9669421 0.82 KDM4E (0.47) KDM4EALDH1A1HPGDKCNH2HSD17B10
SCHEMBL9636620 0.81 ALDH1A1 (0.45) KDM4EALDH1A1HPGDKCNH2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0274033-B1 PROCESS FOR THE PREPARATION OF QUINOLINECARBOXYLIC ACIDS BAYER AG (DE) 1992-03-11 EP disclosed
EP-0164619-B1 2,4,5-TRIHALO OR 2,3,4,5-TETRAHALO BENZENE DERIVATIVES AND PROCESS FOR PRODUCING THEM BAYER AG (DE) 1988-10-12 EP disclosed
EP-0167763-B1 7-AMINO-1-CYCLOPROPYL-6,8-DIHALO-1,4-DIHYDRO-4-OXO-3-QUINOLINE-CARBOXYLIC ACIDS, PROCESS FOR THEIR PREPARATION AND BACTERICIDAL AGENTS CONTAINING THEM BAYER AG (DE) 1988-08-03 EP disclosed
EP-0164619-A1 2,4,5-Trihalo or 2,3,4,5-tetrahalo benzene derivatives and process for producing them BAYER AG (DE) 1985-12-18 EP disclosed