SCHEMBL5203396

SCHEMBL5203396

CC(C)(C)C(C)(NC(=O)O)c1cccc(Oc2cc(Cl)ccc2N(CCCNC(=O)NCc2ccccc2F)C(=O)c2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.35
AHCY P23526 1/20 0.34
PKM P14618 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
P2RX4 Q99571 2/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
IDH1 O75874 1/20 0.32
TP53 P04637 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
CNR1 P21554 2/20 0.31
PPARG P37231 1/20 0.30
PPARD Q03181 1/20 0.30
PPARA Q07869 1/20 0.30
PTGES O14684 1/20 0.30
ALOX5 P09917 1/20 0.30

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
SCHEMBL5203392 0.85 TSPO (0.36) TSPOAHCYPKMMAPK1RAB9A
SCHEMBL5205622 0.85 PPARG (0.36) TSPOAHCYPKMMAPK1RAB9A
SCHEMBL5203488 0.84 TSPO (0.39) TSPOAHCYPKMMAPK1RAB9A
SCHEMBL5203498 0.84 TSPO (0.39) TSPOAHCYPKMMAPK1RAB9A
SCHEMBL7845763 0.84 TSPO (0.39) TSPOAHCYPKMMAPK1RAB9A
Hydrochloric Acid SCHEMBL5204956 0.84 PTGES (0.37) TSPOAHCYPKMMAPK1RAB9A
Hydrochloric Acid SCHEMBL5202593 0.84 TSPO (0.40) TSPOAHCYPKMMAPK1RAB9A
SCHEMBL5203387 0.84 TSPO (0.38) TSPOAHCYPKMMAPK1RAB9A
Hydrochloric Acid SCHEMBL5208593 0.80 PTGES (0.38) TSPOAHCYPKMMAPK1RAB9A
SCHEMBL5205540 0.77 P2RX4 (0.37) TSPOAHCYP2RX4PPARGPPARD

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
US-7160887-B1 Aromatic amine derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-09 US disclosed