SCHEMBL28880745

SCHEMBL28880745

CC(C)(C)NC(=O)Oc1ccc(Oc2ccc(N)cc2Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PNLIP P16233 4/20 0.46
PDE7A Q13946 2/20 0.44
NR1H4 Q96RI1 2/20 0.41
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ESRRA P11474 2/20 0.40
POLB P06746 1/20 0.39
TBXA2R P21731 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.39
FFAR1 O14842 1/20 0.38
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL28338794 0.89 MRGPRX4 (0.41) PNLIPPDE7ANR1H4MAPTESRRA
SCHEMBL27751081 0.85 FFAR1 (0.39) PNLIPNR1H4MEN1KMT2AFFAR1
SCHEMBL3813706 0.80 MAPT (0.51) NR1H4MAPTGAAPKMKMT2A
SCHEMBL28844759 0.79 PDE7A (0.51) PNLIPPDE7AMAPTMEN1GAA
SCHEMBL3485177 0.78 ACACB (0.43) PNLIPPDE7AESRRAKMT2A
SCHEMBL3506314 0.78 POLB (0.48) PNLIPPOLBKMT2ATDP1
SCHEMBL28880742 0.78 PNLIP (0.52) PNLIPPDE7AMAPTNPSR1ESRRA
SCHEMBL3505758 0.77 EGFR (0.52) MAPTNPSR1POLBMEN1KMT2A
SCHEMBL2748866 0.75 ESRRA (0.45) PNLIPPDE7ANR1H4ESRRAFFAR1
SCHEMBL27470803 0.75 ACHE (0.43) NR1H4MAPTPOLBMEN1GAA

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-110483366-A Benzazole compounds and preparation method thereof, pharmaceutical composition and purposes INST MATERIA MEDICA CAMS 2019-11-22 CN disclosed