SCHEMBL9751325

SCHEMBL9751325

O=C(Cl)c1cc(Oc2c(F)cc(C(F)(F)F)cc2F)ccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
TTR P02766 2/20 0.54
PPOX P50336 1/20 0.54
P2RX1 P51575 2/20 0.41
HPGD P15428 3/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 2/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
HIF1A Q16665 1/20 0.40
TXNRD1 Q16881 1/20 0.40
TXNRD3 Q86VQ6 1/20 0.40
TXNRD2 Q9NNW7 1/20 0.40
MAPT P10636 4/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 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
SCHEMBL9751497 0.93 TDP1 (0.58) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10668736 0.89 TDP1 (0.64) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10553434 0.88 TDP1 (0.62) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10667110 0.86 TDP1 (0.54) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9751309 0.84 TDP1 (0.70) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10748703 0.83 TDP1 (0.57) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10806230 0.83 KMT2A (0.57) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9751619 0.82 TDP1 (0.46) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10359539 0.82 TDP1 (0.45) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10673745 0.82 TDP1 (0.57) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4992089-A Pre- and postemergence IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-02-12 US disclosed
EP-0228788-B1 HERBICIDAL DERIVATIVES OF SUBSTITUTED BENZOYL-HYDRAZINIUM COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-12-27 EP disclosed
EP-0228788-A1 Herbicidal derivatives of substituted benzoyl-hydrazinium compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-07-15 EP disclosed