SCHEMBL9546892

SCHEMBL9546892

COC(=S)c1cc(Oc2ccc(Cl)c(C)c2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.55
▸ MEN1 O00255 7/20 0.46
▸ KMT2A Q03164 7/20 0.46
▸ TTR P02766 2/20 0.46
▸ PPOX P50336 1/20 0.46
▸ ALB P02768 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ TBXA2R P21731 2/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ LMNA P02545 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ RAF1 P04049 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ PAX8 Q06710 1/20 0.38
▸ PKM P14618 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 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
SCHEMBL9601597 0.85 KMT2A (0.62) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10784996 0.84 TDP1 (0.77) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9602400 0.80 TDP1 (0.51) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9600761 0.80 TDP1 (0.51) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9600755 0.80 TDP1 (0.51) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10784192 0.79 TDP1 (0.57) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9503150 0.79 TDP1 (0.50) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9601648 0.78 TDP1 (0.49) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10785919 0.75 TDP1 (0.66) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10440885 0.73 TDP1 (0.70) 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-5051360-A — — None — — JP disclosed
JP-H0551360-A PHENYL ETHER DERIVATIVE AND ITS PRODUCTION MITSUBISHI PETROCHEM CO LTD 1993-03-02 — — JP disclosed
Send feedback