SCHEMBL9939101

SCHEMBL9939101

COC(=O)c1nc(-c2c(N)cccc2F)cc(N)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.39
PIM2 Q9P1W9 1/20 0.39
KDM4E B2RXH2 7/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 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
IKBKB O14920 1/20 0.36
ALDH1A1 P00352 8/20 0.36
HSD17B10 Q99714 3/20 0.36
PKM P14618 2/20 0.36
CFTR P13569 2/20 0.36
RCE1 Q9Y256 1/20 0.36
ABL1 P00519 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
IRAK4 Q9NWZ3 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
SCHEMBL9938615 0.85 ABL1 (0.39) NQO2PIM2KDM4ENPC1MAPT
SCHEMBL9938891 0.85 ABL1 (0.40) NQO2KDM4ENPC1MAPTCASP3
SCHEMBL2468298 0.84 ADORA2A (0.44) NQO2PIM2KDM4ENPC1RAB9A
SCHEMBL9938995 0.81 NQO2 (0.38) NQO2KDM4EALDH1A1HSD17B10PKM
SCHEMBL9939744 0.80 ALDH1A1 (0.43) NQO2KDM4ENPC1MAPTALDH1A1
SCHEMBL20727045 0.80 NQO2 (0.36) NQO2KDM4ERAB9AALDH1A1HSD17B10
SCHEMBL3327668 0.80 NQO2 (0.36) NQO2PIM2KDM4EALDH1A1PKM
SCHEMBL2465207 0.79 CYP3A4 (0.38) PIM2JAK1TYK2
SCHEMBL3327913 0.79 ABL1 (0.40) NQO2KDM4ENPC1MAPTCASP3
SCHEMBL3329255 0.79 NQO2 (0.38) NQO2KDM4EMAPTALDH1A1PKM

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 3 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
CN-103380116-A 6-(2-aminophenyl)picolinates and their use as herbicides BAYER IP GMBH 2013-10-30 CN disclosed
WO-2012080187-A1 6-(2-AMINOPHENYL)PICOLINATES AND THEIR USE AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2012-06-21 WO disclosed