SCHEMBL9937769

SCHEMBL9937769

COC(=O)c1nc(-c2ccc(Cl)cc2N)c(F)c(N)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.47
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 5/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PKM P14618 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HPGD P15428 3/20 0.38
CFTR P13569 2/20 0.37
ALPL P05186 1/20 0.37
S1PR4 O95977 1/20 0.37
NQO2 P16083 2/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
RCE1 Q9Y256 1/20 0.36
CNR1 P21554 1/20 0.35

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
SCHEMBL2465128 0.91 ALPL (0.44) ABL1KDM4EALDH1A1SMN1; SMN2PKM
SCHEMBL9938883 0.89 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2PKML3MBTL1
SCHEMBL16075495 0.86 ALDH1A1 (0.40) ABL1KDM4EALDH1A1SMN1; SMN2PKM
SCHEMBL9938854 0.85 ALDH1A1 (0.40) ABL1KDM4EALDH1A1SMN1; SMN2PKM
SCHEMBL9938756 0.85 TDP1 (0.42) ABL1ALDH1A1CFTRGCK
SCHEMBL1918075 0.84 KDM4E (0.53) ABL1KDM4EALDH1A1SMN1; SMN2PKM
SCHEMBL30481035 0.84 KDM4E (0.53) ABL1KDM4EALDH1A1SMN1; SMN2PKM
SCHEMBL16075498 0.83 CTSA (0.40) KDM4EALDH1A1SMN1; SMN2PKML3MBTL1
SCHEMBL16045948 0.83 KDM4E (0.39) KDM4EALDH1A1SMN1; SMN2PKML3MBTL1
SCHEMBL9937845 0.83 ALDH1A1 (0.36) ABL1KDM4EALDH1A1SMN1; SMN2PKM

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-2665710-A1 6-(2-AMINOPHENYL)PICOLINATES AND THEIR USE AS HERBICIDES Bayer Intellectual Property GmbH (DE) 2013-11-27 EP disclosed
WO-2012080187-A1 6-(2-AMINOPHENYL)PICOLINATES AND THEIR USE AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2012-06-21 WO disclosed