SCHEMBL28329663

SCHEMBL28329663

NC(=O)c1c(F)ccc(-c2ccccc2)c1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCAT2 O15382 2/20 0.47
▸ CDK1 P06493 1/20 0.43
▸ CCNB1 P14635 1/20 0.43
▸ CCNA2 P20248 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ PTGS1 P23219 3/20 0.41
▸ PTGS2 P35354 2/20 0.41
▸ FABP2 P12104 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ AKR1C4 P17516 1/20 0.41
▸ ADRA2B P18089 1/20 0.41
▸ CHRM3 P20309 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ AKR1C3 P42330 1/20 0.41
▸ AKR1C2 P52895 1/20 0.41
▸ AKR1C1 Q04828 1/20 0.41
▸ SLC22A6 Q4U2R8 1/20 0.41

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
SCHEMBL29614030 0.86 TRPA1 (0.40) BCAT2CDK1CCNB1CCNA2CDK2
SCHEMBL20773094 0.85 CDK1 (0.44) CDK1CCNB1CCNA2CDK2MEN1
SCHEMBL30463470 0.80 BCAT2 (0.53) BCAT2KMT2ALMNAMAPTDHODH
SCHEMBL19553982 0.79 ALDH1A1 (0.49) BCAT2MEN1KMT2ACYP1A2MAPT
SCHEMBL28357636 0.79 BCAT2 (0.47) BCAT2MEN1KMT2APTGS1PTGS2
SCHEMBL13824200 0.78 HTT (0.51) CDK1CCNB1CCNA2CDK2MEN1
SCHEMBL5225459 0.78 CDK1 (0.38) CDK1CCNB1CCNA2CDK2MEN1
SCHEMBL9705872 0.77 FFAR1 (0.47) CDK1CCNB1CCNA2CDK2MEN1
SCHEMBL23573105 0.76 BCAT2 (0.58) BCAT2MEN1KMT2ATSHRMAPT
SCHEMBL7146004 0.76 CES2 (0.46) —

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
CN-110483328-A 2,6- bis- (amino-benzene oxygen)-N- [4- (phenylazo) phenyl] benzamide monomer and preparation method ANYANG INST TECH 2019-11-22 — — CN claimed
Send feedback