SCHEMBL10976597

SCHEMBL10976597

COC(=O)Oc1cnn(-c2c(Br)cc(Br)cc2Br)c1N

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CUL4A Q13619 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
KMT2A Q03164 2/20 0.33
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
MEN1 O00255 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP3A4 P08684 1/20 0.33
PKM P14618 1/20 0.33
MAPK14 Q16539 1/20 0.33
SCN5A Q14524 1/20 0.31
SCN9A Q15858 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
ALOX12 P18054 1/20 0.30

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
SCHEMBL10976375 0.80 MAPK1 (0.47) CUL4AMAPK14SCN5ASCN9A
SCHEMBL10971710 0.78 KMT2A (0.51) CYP1A2CYP2C19KMT2AHSD17B10HPGD
SCHEMBL10972288 0.72 PKM (0.44) PKMSCN5ASCN9AALOX12
SCHEMBL10972269 0.71 SCN9A (0.47) KDM4EMAPK14SCN5ASCN9AMAPT
SCHEMBL10344604 0.68 KMT2A (0.46) CYP1A2CYP2C19KMT2AHPGDMEN1
SCHEMBL27601386 0.66 HSD17B10 (0.52) CUL4AKMT2AHSD17B10KDM4EHPGD
SCHEMBL23388820 0.66 ALDH1A1 (0.50) CUL4AKMT2AHSD17B10KDM4EHPGD
SCHEMBL29750502 0.66 ALDH1A1 (0.50) CUL4AKMT2AHSD17B10KDM4EHPGD
SCHEMBL10344673 0.64 KMT2A (0.49) KMT2AKDM4EHPGDMEN1PKM
SCHEMBL1456561 0.63 MAPK14 (0.41) KMT2AMEN1MAPK14

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-0053698-B1 5-AMINO-1-PHENYLPYRAZOLE-4-CARBOXYLIC ACIDS, PROCESS FOR THEIR PREPARATION, HERBICIDES CONTAINING THEM AND THEIR USE AS HERBICIDES BASF Aktiengesellschaft (DE) 1985-01-09 EP claimed
EP-0053698-A1 5-Amino-1-phenylpyrazole-4-carboxylic acids, process for their preparation, herbicides containing them and their use as herbicides BASF Aktiengesellschaft (DE) 1982-06-16 EP claimed