SCHEMBL23554169

SCHEMBL23554169

O[n+]1cccc(-c2csc(Nc3ccc(C(F)(F)F)cc3)n2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.60
CFTR P13569 2/20 0.57
NPY5R Q15761 1/20 0.56
VCP P55072 3/20 0.53
AMY1A P0DUB6 1/20 0.53
PKM P14618 2/20 0.51
MAPT P10636 6/20 0.50
MAPK1 P28482 2/20 0.50
KDM4E B2RXH2 2/20 0.50
POLB P06746 1/20 0.50
CSNK2A1 P68400 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
MEN1 O00255 3/20 0.49
RAB9A P51151 3/20 0.49
KMT2A Q03164 3/20 0.49
NPC1 O15118 1/20 0.49
HTT P42858 1/20 0.47
GAA P10253 1/20 0.47
NFKB1 P19838 1/20 0.47
RECQL P46063 1/20 0.47

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
SCHEMBL23554096 0.88 VCP (0.64) ALOX5CFTRVCPMAPTMAPK1
SCHEMBL23539499 0.86 ALOX5 (0.60) ALOX5CFTRNPY5RVCPAMY1A
SCHEMBL1822809 0.85 ALOX5 (0.76) ALOX5CFTRNPY5RVCPAMY1A
SCHEMBL23553823 0.80 MEN1 (0.49) ALOX5CFTRVCPAMY1APKM
SCHEMBL1888054 0.79 ALOX5 (0.78) ALOX5CFTRNPY5RVCPAMY1A
SCHEMBL31126438 0.77 ALOX5 (0.64) ALOX5CFTRNPY5RVCPMAPT
SCHEMBL5026675 0.77 ALOX5 (0.64) ALOX5CFTRNPY5RVCPMAPT
SCHEMBL207658 0.77 MEN1 (0.75) ALOX5NPY5RVCPPKMMAPT
SCHEMBL31126428 0.76 ALOX5 (0.78) ALOX5NPY5RVCPAMY1AMAPT
SCHEMBL23539595 0.76 ALOX5 (0.73) ALOX5CFTRNPY5RVCPMAPT

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
WO-2021127301-A1 4-PHENYL-N-(PHENYL)THIAZOL-2-AMINE DERIVATIVES AND RELATED COMPOUNDS AS ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS FOR THE TREATMENT OF E.G. ANGIOGENESIS IMPLICATED OR INFLAMMATORY DISORDERS Ikena Oncology, Inc. (US) 2021-06-24 WO disclosed