SCHEMBL28889332

SCHEMBL28889332

COc1ccc(CNC(=S)NC(=O)C(c2cc(C(F)(F)F)ccn2)c2ccccc2Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
NPC1 O15118 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX12 P18054 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TSHR P16473 1/20 0.42
MAPT P10636 2/20 0.40
ADAMTS5 Q9UNA0 2/20 0.39
PKM P14618 1/20 0.39
RECQL P46063 2/20 0.39
CYP3A4 P08684 1/20 0.38
PTPN7 P35236 1/20 0.38
DUSP3 P51452 1/20 0.38

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
SCHEMBL29941911 0.92 MEN1 (0.43) MEN1KMT2APOLBALDH1A1CYP1A2
SCHEMBL28889200 0.86 ADRB2 (0.41) MEN1KMT2AALDH1A1CYP1A2CYP2C19
SCHEMBL29941823 0.82 ADRB2 (0.40) MEN1KMT2APOLBALDH1A1CYP1A2
SCHEMBL28889152 0.81 ADRB2 (0.37) MEN1KMT2AALDH1A1CYP1A2CYP2C19
SCHEMBL29893979 0.80 ADRB2 (0.38) MEN1KMT2APOLBALDH1A1CYP1A2
SCHEMBL28889154 0.79 ADRB2 (0.38) MEN1KMT2APOLBALDH1A1CYP1A2
SCHEMBL28889330 0.78 ALDH1A1 (0.44) MEN1KMT2AALDH1A1NPSR1
SCHEMBL29893684 0.78 ADRB2 (0.39) MEN1KMT2APOLBALDH1A1CYP1A2
SCHEMBL28889286 0.78 ADRB2 (0.36) MEN1KMT2APOLBALDH1A1CYP1A2
SCHEMBL28889188 0.77 ADRB2 (0.39) MEN1KMT2APOLBALDH1A1CYP1A2

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-115215862-A Pyrimidone compounds and uses thereof 武汉人福创新药物研发中心有限公司 2022-10-21 CN disclosed