SCHEMBL9937674

SCHEMBL9937674

COC(=O)c1nc(-c2cc([N+](=O)[O-])ccc2N)cc(N)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.42
TDP1 Q9NUW8 5/20 0.41
F2 P00734 1/20 0.39
PLAU P00749 1/20 0.39
KLKB1 P03952 1/20 0.39
ELANE P08246 1/20 0.39
CTRB1 P17538 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 3/20 0.38
CYP3A4 P08684 3/20 0.38
ALOX15 P16050 1/20 0.38
POLB P06746 2/20 0.38
KDM4E B2RXH2 2/20 0.38
PKM P14618 2/20 0.38
GAA P10253 2/20 0.38
RCE1 Q9Y256 1/20 0.38
THRB P10828 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL9938918 0.92 TDP1 (0.43) HTTTDP1F2PLAUKLKB1
SCHEMBL9938781 0.86 ALDH1A1 (0.44) HTTTDP1RAB9AALDH1A1POLB
SCHEMBL27922455 0.85 ALDH1A1 (0.36) HTTTDP1ALDH1A1CYP3A4GAA
SCHEMBL9939442 0.85 ABL1 (0.48) RAB9AALDH1A1KDM4EPKMRCE1
SCHEMBL9939529 0.84 KDM4E (0.40) RAB9AALDH1A1ALOX15KDM4EPKM
SCHEMBL9939613 0.83 KDM4E (0.44) HTTALDH1A1ALOX15KDM4EPKM
SCHEMBL9939395 0.83 KDM4E (0.39) RAB9AALDH1A1KDM4EPKMRCE1
SCHEMBL9939179 0.81 ALDH1A1 (0.38) HTTTDP1F2ALDH1A1POLB
SCHEMBL9939744 0.81 ALDH1A1 (0.43) ALDH1A1KDM4EPKMGAARCE1
SCHEMBL9939089 0.80 CFTR (0.49) HTTALDH1A1KDM4EPKMRCE1

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