SCHEMBL17027115

SCHEMBL17027115

CN(c1cccc(Br)c1)S(=O)(=O)c1c[nH]c2ccc(C(F)(F)F)cc12

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.51
▸ NR1H3 Q13133 4/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ DDR1 Q08345 1/20 0.37
▸ SRC P12931 1/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ HTR1A P08908 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ HTR7 P34969 1/20 0.34
▸ HTR6 P50406 1/20 0.34

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
SCHEMBL17027204 0.80 IDO1 (0.45) POLBMEN1KMT2AIDO1HTR1A
SCHEMBL22158064 0.71 FEN1 (0.44) DDR1HTR6
SCHEMBL18581219 0.70 IDO1 (0.45) MEN1KMT2AIDO1HTR1ADRD2
SCHEMBL17027144 0.70 MEN1 (0.46) MEN1KMT2AIDO1HTR1ADRD2
SCHEMBL17026986 0.70 MEN1 (0.43) MEN1KMT2AIDO1HTR1ADRD2
Pyridine SCHEMBL18581078 0.68 MAP2K4 (0.40) MEN1KMT2AIDO1HTR1ADRD2
SCHEMBL17027023 0.67 KIF11 (0.41) MEN1KMT2ADDR1DRD2HTR6
SCHEMBL7128846 0.67 CA1 (0.42) NR1H3
SCHEMBL27946710 0.65 KIF11 (0.47) MEN1KMT2AIDO1HTR1ADRD2
SCHEMBL27691865 0.65 MEN1 (0.53) MEN1KMT2AIDO1

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
EP-3107910-A1 NEW PHENYLAZETIDINE, CARBOXYLATE OR CARBOXAMIDE COMPOUNDS INVENTIVA (FR) 2016-12-28 — — EP disclosed
WO-2015124868-A1 NEW PHENYLAZETIDINE, CARBOXYLATE OR CARBOXAMIDE COMPOUNDS INVENTIVA (FR) 2015-08-27 — — WO disclosed
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