SCHEMBL9503150

SCHEMBL9503150

COC(=O)COC(=NO)c1cc(Oc2ccc(Cl)c(C)c2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 6/20 0.50
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ TTR P02766 2/20 0.42
▸ PPOX P50336 1/20 0.42
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.36
▸ TBXA2R P21731 2/20 0.36
▸ ALB P02768 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ MAPT P10636 4/20 0.36
▸ PLA2G1B P04054 1/20 0.36
▸ ATG4B Q9Y4P1 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ PKM P14618 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ RAF1 P04049 1/20 0.35
▸ HPGD P15428 1/20 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
SCHEMBL9601648 0.88 TDP1 (0.49) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9602400 0.84 TDP1 (0.51) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9600761 0.84 TDP1 (0.51) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9600755 0.80 TDP1 (0.51) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9601597 0.80 KMT2A (0.62) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9546892 0.79 TDP1 (0.55) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9342535 0.76 TDP1 (0.78) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10515253 0.76 LMNA (0.55) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10772092 0.74 TDP1 (0.61) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10775113 0.74 TDP1 (0.54) TDP1MEN1KMT2ATTRPPOX

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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