SCHEMBL17027144

SCHEMBL17027144

O=S(=O)(O)c1c[nH]c2ccc(C(F)(F)F)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ IDO1 P14902 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ KIF11 P52732 3/20 0.41
▸ HTR1A P08908 1/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ HTR7 P34969 1/20 0.40
▸ HTR6 P50406 1/20 0.40
▸ PRKAB2 O43741 1/20 0.40
▸ PRKAG1 P54619 1/20 0.40
▸ PRKAA2 P54646 1/20 0.40
▸ PRKAA1 Q13131 1/20 0.40
▸ PRKAG3 Q9UGI9 1/20 0.40
▸ PRKAG2 Q9UGJ0 1/20 0.40
▸ PRKAB1 Q9Y478 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
Pyridine SCHEMBL18581078 0.89 MAP2K4 (0.40) MEN1KMT2AIDO1ALDH1A1CYP1A2
SCHEMBL18581219 0.84 IDO1 (0.45) MEN1KMT2AIDO1ALDH1A1CYP1A2
SCHEMBL17027204 0.81 IDO1 (0.45) MEN1KMT2AIDO1ALDH1A1CYP1A2
SCHEMBL17026986 0.81 MEN1 (0.43) MEN1KMT2AIDO1KDM4EKIF11
SCHEMBL5730676 0.76 F7 (0.56) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL1465827 0.74 ALDH1A1 (0.68) MEN1KMT2AIDO1ALDH1A1CYP1A2
SCHEMBL24143313 0.74 MEN1 (0.52) MEN1KMT2AIDO1ALDH1A1CYP1A2
SCHEMBL29609054 0.73 KIF11 (0.49) MEN1KMT2AIDO1ALDH1A1CYP1A2
SCHEMBL22879684 0.73 HTR1D (0.50) MEN1KMT2AKIF11HTR1ADRD2
SCHEMBL17027274 0.72 IDO1 (0.48) MEN1KMT2AIDO1ALDH1A1CYP1A2

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
Send feedback