SCHEMBL27940922

SCHEMBL27940922

COC(=O)c1nc(-c2ccc(CN)cc2N)cc(N)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 3/20 0.40
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 3/20 0.37
TSHR P16473 2/20 0.37
GAA P10253 2/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NQO2 P16083 2/20 0.36
MAPK8 P45983 2/20 0.36
MAPK9 P45984 2/20 0.36
MAPK10 P53779 2/20 0.36
PRKD3 O94806 1/20 0.36
MAPK1 P28482 1/20 0.36
PRKD2 Q9BZL6 1/20 0.36
PKM P14618 2/20 0.36
RCE1 Q9Y256 1/20 0.36
ABL1 P00519 1/20 0.35
SMN1; SMN2 Q16637 2/20 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
SCHEMBL9938790 0.85 ABL1 (0.51) ALDH1A1KDM4EMAPTHPGDNQO2
SCHEMBL9939346 0.84 KDM4E (0.48) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL9939145 0.84 CYP46A1 (0.42) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL9938104 0.83 ALPL (0.41) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL9939645 0.83 KDM4E (0.44) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL27922444 0.81 NQO2 (0.40) LOXL2ALDH1A1KDM4ETSHRGAA
SCHEMBL9939744 0.81 ALDH1A1 (0.43) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL16047255 0.80 ALPL (0.54) ALDH1A1KDM4ETSHRGAAMAPT
SCHEMBL16046908 0.80 NQO2 (0.39) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL9938918 0.80 TDP1 (0.43) ALDH1A1TSHRGAAMAPTALOX15

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-103380116-A 6-(2-aminophenyl)picolinates and their use as herbicides BAYER IP GMBH 2013-10-30 CN disclosed