SCHEMBL9503159

SCHEMBL9503159

COC(=O)Cc1cc(Oc2ccc(Cl)c(C)c2Cl)cc(C(=O)NO)c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.38
▸ PDGFRB P09619 1/20 0.37
▸ FGFR1 P11362 1/20 0.37
▸ PDGFRA P16234 1/20 0.37
▸ FLT1 P17948 1/20 0.37
▸ FGFR3 P22607 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ TBXA2R P21731 2/20 0.34
▸ LMNA P02545 6/20 0.33
▸ ALDH1A1 P00352 6/20 0.33
▸ MEN1 O00255 5/20 0.33
▸ KMT2A Q03164 5/20 0.33
▸ MAPT P10636 3/20 0.33
▸ PKM P14618 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HPGD P15428 1/20 0.32
▸ HTT P42858 1/20 0.32

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
SCHEMBL9503167 1.00 TDP1 (0.38) TDP1PDGFRBFGFR1PDGFRAFLT1
SCHEMBL9541693 0.85 TBXA2R (0.40) TDP1TBXA2RLMNAALDH1A1MEN1
SCHEMBL10515256 0.74 LMNA (0.57) TDP1LMNAALDH1A1MEN1KMT2A
SCHEMBL10515260 0.74 LMNA (0.57) TDP1LMNAALDH1A1MEN1KMT2A
SCHEMBL9600761 0.72 TDP1 (0.51) TDP1TBXA2RLMNAALDH1A1MEN1
SCHEMBL9600755 0.72 TDP1 (0.51) TDP1TBXA2RLMNAALDH1A1MEN1
SCHEMBL9602400 0.72 TDP1 (0.51) TDP1TBXA2RLMNAALDH1A1MEN1
SCHEMBL30684436 0.71 OPRK1 (0.45) TDP1PDGFRBFGFR1PDGFRAFLT1
SCHEMBL26912750 0.71 OPRK1 (0.45) TDP1PDGFRBFGFR1PDGFRAFLT1
SCHEMBL9503150 0.69 TDP1 (0.50) TDP1TBXA2RLMNAALDH1A1MEN1

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
JP-5139915-A — — None — — JP disclosed
JP-H05139915-A AQUEOUS SUSPENDED HERBICIDAL FORMULATION COMPOSITION MITSUBISHI PETROCHEM CO LTD 1993-06-08 — — JP disclosed
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