SCHEMBL31471103

SCHEMBL31471103

CCOC(=O)c1ncccc1OCC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.60
TDP2 O95551 2/20 0.47
PDE4A P27815 1/20 0.47
CYP1A2 P05177 1/20 0.46
TSHR P16473 1/20 0.46
GRM5 P41594 1/20 0.45
HTT P42858 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
GLA P06280 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 2/20 0.44
CASP1 P29466 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ELANE P08246 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL7267932 0.89 BRD4 (0.56) BRD4TDP2PDE4ACYP1A2TSHR
SCHEMBL27492257 0.89 BRD4 (0.58) BRD4TDP2PDE4ACYP1A2TSHR
SCHEMBL1514835 0.88 BRD4 (0.55) BRD4TDP2MEN1KMT2AKDM4E
SCHEMBL29604747 0.88 BRD4 (0.55) BRD4TDP2MEN1KMT2AKDM4E
SCHEMBL3602782 0.87 L3MBTL1 (0.55) BRD4GRM5HTTL3MBTL1GLA
SCHEMBL13313473 0.86 BRD4 (0.56) BRD4TDP2PDE4ACYP1A2TSHR
SCHEMBL25370578 0.85 PPIA (0.60) BRD4TSHRL3MBTL1MEN1KMT2A
SCHEMBL6042670 0.85 BRD4 (0.52) BRD4TDP2PDE4AHTTL3MBTL1
SCHEMBL30852245 0.83 BRD4 (0.53) BRD4TDP2PDE4ACYP1A2HTT
SCHEMBL13348591 0.83 BRD4 (0.53) BRD4TDP2PDE4ACYP1A2TSHR

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-113490668-B Compounds and compositions for the treatment of diseases associated with APJ receptor activity 安娜普尔纳生物股份有限公司 2025-02-25 CN disclosed