SCHEMBL26696901

SCHEMBL26696901

CC(C)(C)OC(=O)NCc1ccccc1-n1cc([N+](=O)[O-])cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KCNA5 P22460 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
GAA P10253 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
SLC29A1 Q99808 1/20 0.39
F2 P00734 2/20 0.39
PLAU P00749 2/20 0.39
ELANE P08246 2/20 0.39

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
SCHEMBL26696930 0.79 CA12 (0.42) RXFP1L3MBTL1SMN1; SMN2MAPTNPC1
SCHEMBL26696707 0.79 MAPT (0.43) RXFP1L3MBTL1SMN1; SMN2MAPTNPC1
SCHEMBL2061145 0.75 NPC1 (0.54) L3MBTL1KCNA5CYP2C19SMN1; SMN2NPC1
SCHEMBL19268475 0.75 LMNA (0.53) GAACYP2C9CYP2C19SMN1; SMN2MAPT
SCHEMBL20278290 0.75 ALDH1A1 (0.42) GAACYP2C19SMN1; SMN2MAPTRAB9A
SCHEMBL22556864 0.75 F2 (0.50) RXFP1L3MBTL1GAACYP2C9CYP2C19
SCHEMBL14907666 0.74 MGLL (0.54) RXFP1KCNA5GAACYP2C9CYP2C19
SCHEMBL26697059 0.74 F2 (0.43) RXFP1L3MBTL1GAACYP2C9CYP2C19
SCHEMBL3654246 0.74 CA1 (0.52) L3MBTL1KCNA5HDAC10HDAC6CA12
SCHEMBL3656591 0.74 CA1 (0.44) KCNA5HDAC10HDAC6CA12CA1

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-2023227125-A1 NEW FUSED-HETEROCYCLIC COMPOUND AS CDK INHIBITOR AND USE THEREOF 杭州德睿智药科技有限公司 2023-11-30 WO disclosed