SCHEMBL29601920

SCHEMBL29601920

Cc1nc(-c2sc(Cl)cc2CN)ccc1OC1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.43
LOX P28300 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.34
KMO O15229 4/20 0.34
CARM1 Q86X55 1/20 0.33
PRMT1 Q99873 1/20 0.33
MCHR1 Q99705 2/20 0.32
PDE4A P27815 3/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
HPGD P15428 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPY1R P25929 1/20 0.31
NPY2R P49146 1/20 0.31
P2RX4 Q99571 1/20 0.31
SAE1 Q9UBE0 1/20 0.31

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
SCHEMBL24440640 1.00 CSNK2A1 (0.43) CSNK2A1LOXLOXL2KMOCARM1
SCHEMBL29672105 0.90 CSNK2A1 (0.36) CSNK2A1KMOMCHR1PDE4APDE4B
SCHEMBL24441148 0.90 CSNK2A1 (0.36) CSNK2A1KMOMCHR1PDE4APDE4B
SCHEMBL29672295 0.89 KMO (0.36) CSNK2A1KMOPDE4APDE4BPDE4C
SCHEMBL24440656 0.89 CSNK2A1 (0.35) CSNK2A1KMOPDE4APDE4BPDE4C
SCHEMBL24439734 0.89 KMO (0.36) CSNK2A1KMOPDE4APDE4BPDE4C
SCHEMBL24441023 0.89 CSNK2A1 (0.39) CSNK2A1LOXLOXL2KMOCARM1
SCHEMBL24439745 0.88 CSNK2A1 (0.34) CSNK2A1KMOPDE4APDE4BPDE4C
SCHEMBL24441480 0.87 CSNK2A1 (0.36) CSNK2A1KMOCARM1PRMT1PDE4A
SCHEMBL24441059 0.87 CSNK2A1 (0.38) CSNK2A1LOXLOXL2KMOCARM1

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-2022100625-A1 NITROGEN-SUBSTITUTED AMINOCARBONATE THIOPHENE COMPOUND AND USE THEREOF 武汉人福创新药物研发中心有限公司 2022-05-19 WO disclosed