SCHEMBL27558982

SCHEMBL27558982

O=[N+]([O-])c1cccc(CNC(=S)c2cc(OC(F)(F)F)ccc2O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.54
POLB P06746 1/20 0.48
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
TP53 P04637 1/20 0.46
CASP3 P42574 1/20 0.46
HTT P42858 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
PTPN7 P35236 2/20 0.43
DUSP3 P51452 2/20 0.43
MAPK14 Q16539 1/20 0.43
PTPN1 P18031 1/20 0.42
CYP19A1 P11511 1/20 0.42
GAA P10253 1/20 0.40
NPC1 O15118 1/20 0.40
HSP90AA1 P07900 1/20 0.40
PKM P14618 1/20 0.40
PAX8 Q06710 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
SCHEMBL7610342 0.85 AKR1B1 (0.54) AKR1B1POLBMEN1KMT2AMAPT
SCHEMBL5462218 0.84 AKR1B1 (0.70) AKR1B1POLBMEN1KMT2AMAPT
SCHEMBL9162776 0.77 MEN1 (0.54) AKR1B1MEN1KMT2AMAPTCYP19A1
SCHEMBL27558978 0.76 AKR1B1 (0.68) AKR1B1POLBMEN1KMT2AMAPT
SCHEMBL27558983 0.76 AKR1B1 (0.54) AKR1B1POLBMEN1KMT2AMAPT
SCHEMBL5470857 0.76 AKR1B1 (0.66) AKR1B1POLBMEN1KMT2AMAPT
SCHEMBL5483642 0.72 AKR1B1 (0.52) AKR1B1POLBMEN1KMT2AMAPT
SCHEMBL11821210 0.72 MEN1 (0.47) POLBMEN1KMT2AMAPTNPSR1
SCHEMBL1130974 0.70 KMT2A (0.58) POLBMEN1KMT2AMAPTNPSR1
SCHEMBL29469269 0.70 KMT2A (0.58) POLBMEN1KMT2AMAPTNPSR1

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
CN-1364153-A Substituted phenoxyacetic acids INST PHARMACEUTICAL DISCOVERY (US) 2002-08-14 CN disclosed