SCHEMBL23554151

SCHEMBL23554151

O[n+]1cccc(-c2nsc(Nc3cccc(C(F)(F)F)c3)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
NPC1 O15118 1/20 0.49
CASP3 P42574 1/20 0.49
RAB9A P51151 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
MAPT P10636 5/20 0.46
MAPK1 P28482 2/20 0.46
VCP P55072 1/20 0.45
IDH2 P48735 3/20 0.44
ABCG2 Q9UNQ0 2/20 0.44
KDM4E B2RXH2 2/20 0.43
CFTR P13569 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 1/20 0.41
ACHE P22303 1/20 0.41
ROCK2 O75116 1/20 0.40
LMNA P02545 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
SCHEMBL23554146 0.87 MEN1 (0.46) MEN1KMT2ANPC1CASP3RAB9A
SCHEMBL23554096 0.80 VCP (0.64) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL23554055 0.80 VCP (0.57) MEN1KMT2ANPC1CASP3RAB9A
SCHEMBL30041411 0.79 KIF11 (0.59) MEN1KMT2ANPC1CASP3RAB9A
SCHEMBL23539563 0.79 KIF11 (0.59) MEN1KMT2ANPC1CASP3RAB9A
SCHEMBL23691149 0.78 IDH2 (0.47) NPC1RAB9AMAPTMAPK1IDH2
SCHEMBL23539803 0.77 SYK (0.47) MEN1KMT2ANPC1CASP3RAB9A
SCHEMBL23553843 0.74 MEN1 (0.48) MEN1KMT2ANPC1CASP3RAB9A
SCHEMBL23540029 0.72 MAPT (0.46) MEN1KMT2ANPC1CASP3RAB9A
SCHEMBL30041718 0.72 MAPT (0.46) MEN1KMT2ANPC1CASP3RAB9A

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