SCHEMBL8473597

SCHEMBL8473597

COc1ccc(-c2nc(C)[nH]c2Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
KDM4E B2RXH2 3/20 0.45
LMNA P02545 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NOX1 Q9Y5S8 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
PTGS2 P35354 1/20 0.42
TGFBR1 P36897 1/20 0.41
MAPT P10636 3/20 0.41
ADORA1 P30542 1/20 0.41
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TP53 P04637 2/20 0.40
SMPD3 Q9NY59 1/20 0.40

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
SCHEMBL15676790 0.82 KDM4E (0.47) HPGDKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL9749306 0.81 HPGD (0.62) ALDH1A1HPGDKMT2AMEN1KDM4E
SCHEMBL12961556 0.78 KDM4E (0.63) ALDH1A1HPGDKDM4ELMNATDP1
SCHEMBL15676732 0.75 FASN (0.50) ALDH1A1HPGDKDM4ESMN1; SMN2MAPK13
SCHEMBL10444906 0.74 ALDH1A1 (0.58) ALDH1A1HPGDKMT2AMEN1KDM4E
SCHEMBL21852751 0.72 ALDH1A1 (0.67) ALDH1A1HPGDKMT2AMEN1KDM4E
SCHEMBL10558963 0.72 KDM4E (0.51) ALDH1A1HPGDKMT2AMEN1KDM4E
SCHEMBL10989656 0.72 NOX1 (0.59) ALDH1A1HPGDKMT2AMEN1KDM4E
SCHEMBL15676722 0.72 NQO2 (0.42) ALDH1A1HPGDLMNATDP1
SCHEMBL15676696 0.72 MAP2K4 (0.46) MAPK14

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
US-5861359-A WHEAT, SOYBEANS, CORN; PRE- AND POSTEMERGENCE HERBICIDES FMC CORPORATION (US) 1999-01-19 US disclosed
WO-1997005115-A1 HERBICIDAL PHENYLMETHOXYPHENYL HETEROCYCLES FMC CORPORATION (US) 1997-02-13 WO disclosed