SCHEMBL10713293

SCHEMBL10713293

O=[N+]([O-])c1cc(CCl)c(Cl)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
TSHR P16473 3/20 0.46
TDP1 Q9NUW8 3/20 0.43
ATM Q13315 1/20 0.43
HIF1A Q16665 2/20 0.42
MAPT P10636 2/20 0.40
VCAM1 P19320 2/20 0.40
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ESPL1 Q14674 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.38
CYP3A4 P08684 2/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
TXNRD1 Q16881 1/20 0.37

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
SCHEMBL8915124 0.84 ATM (0.42) ALDH1A1TSHRTDP1ATMHIF1A
SCHEMBL29644788 0.84 TDP1 (0.42) ALDH1A1TSHRTDP1ATMHIF1A
SCHEMBL29790171 0.83 TSHR (0.50) ALDH1A1TSHRTDP1VCAM1MAPK1
SCHEMBL1626023 0.83 TSHR (0.50) ALDH1A1TSHRTDP1VCAM1MAPK1
SCHEMBL10714238 0.83 TDP1 (0.41) ALDH1A1TSHRTDP1ATMHIF1A
SCHEMBL27723094 0.81 ALDH1A1 (0.41) ALDH1A1TSHRTDP1ATMHIF1A
SCHEMBL29859749 0.81 ATM (0.40) ALDH1A1TSHRTDP1ATMHIF1A
SCHEMBL17543457 0.81 ATM (0.40) ALDH1A1TSHRTDP1ATMHIF1A
SCHEMBL14578462 0.81 TDP1 (0.52) ALDH1A1TSHRTDP1ATMHIF1A
SCHEMBL29580289 0.81 TDP1 (0.52) ALDH1A1TSHRTDP1ATMHIF1A

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
WO-1987007602-A2 N-(5-SUBSTITUTED METHYLENE) PHENYL HERBICIDES RHONE-POULENC AGROCHIMIE (FR) 1987-12-17 WO claimed
WO-1987007602-A2 N-(5-SUBSTITUTED METHYLENE) PHENYL HERBICIDES RHONE-POULENC AGROCHIMIE (FR) 1987-12-17 WO disclosed