SCHEMBL10608335

SCHEMBL10608335

CC(=O)Sc1cc(Oc2c(F)c(F)c(C)c(F)c2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.36
▸ MEN1 O00255 5/20 0.36
▸ TDP1 Q9NUW8 3/20 0.36
▸ TTR P02766 2/20 0.36
▸ PPOX P50336 1/20 0.36
▸ LMNA P02545 4/20 0.36
▸ POLB P06746 2/20 0.36
▸ ALDH1A1 P00352 5/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 4/20 0.35
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ HTT P42858 2/20 0.35
▸ MITF O75030 1/20 0.35
▸ CCR6 P51684 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ PDE7A Q13946 3/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ HPGD P15428 2/20 0.33
▸ RAF1 P04049 1/20 0.33

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
SCHEMBL11287905 0.84 ALDH1A1 (0.46) KMT2AMEN1TDP1TTRPPOX
SCHEMBL10947425 0.83 GPR35 (0.39) KMT2AMEN1TDP1TTRPPOX
SCHEMBL10766268 0.83 TDP1 (0.42) KMT2AMEN1TDP1TTRPPOX
SCHEMBL9120594 0.82 MEN1 (0.52) KMT2AMEN1TDP1TTRPPOX
SCHEMBL11190333 0.82 TDP1 (0.43) KMT2AMEN1TDP1TTRPPOX
SCHEMBL11411623 0.82 MEN1 (0.38) KMT2AMEN1TDP1TTRPPOX
SCHEMBL10430085 0.81 TDP1 (0.43) KMT2AMEN1TDP1TTRPPOX
SCHEMBL11213666 0.80 TDP1 (0.57) KMT2AMEN1TDP1TTRPPOX
SCHEMBL10495360 0.80 TDP1 (0.41) KMT2AMEN1TDP1TTRPPOX
SCHEMBL11266141 0.79 TDP1 (0.45) KMT2AMEN1TDP1TTRPPOX

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0178708-B1 HETEROAROMATIC ETHER HERBICIDES SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1989-11-08 — — EP disclosed
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