SCHEMBL29145083

SCHEMBL29145083

COC(=O)n1c(-c2ccc(C)cc2)nc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.58
CNR1 P21554 1/20 0.52
KDM4E B2RXH2 5/20 0.50
NPC1 O15118 1/20 0.50
PKM P14618 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
ASAH1 Q13510 1/20 0.47
NPSR1 Q6W5P4 2/20 0.47
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
DRD2 P14416 1/20 0.46
TBXA2R P21731 1/20 0.46
TP53 P04637 1/20 0.45
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 2/20 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
SCHEMBL29145160 0.91 L3MBTL1 (0.61) CNR2L3MBTL1CNR1KDM4EPKM
SCHEMBL29145164 0.89 DRD2 (0.58) CNR2L3MBTL1CNR1KDM4ENPC1
SCHEMBL14825918 0.89 CNR2 (0.56) CNR2L3MBTL1CNR1KDM4ENPC1
SCHEMBL21705334 0.87 CNR2 (0.54) CNR2L3MBTL1CNR1KDM4ESMN1; SMN2
SCHEMBL29145103 0.87 CNR2 (0.54) CNR2L3MBTL1CNR1KDM4ESMN1; SMN2
SCHEMBL29145171 0.86 L3MBTL1 (0.56) CNR2L3MBTL1CNR1SMN1; SMN2LMNA
SCHEMBL29145163 0.84 CNR2 (0.52) CNR2L3MBTL1CNR1KDM4ESMN1; SMN2
SCHEMBL29145118 0.84 ALDH1A1 (0.63) CNR2L3MBTL1CNR1KDM4ENPC1
SCHEMBL29145085 0.82 CNR2 (0.50) CNR2L3MBTL1CNR1KDM4ESMN1; SMN2
SCHEMBL29145105 0.82 KDM4E (0.56) CNR2CNR1KDM4ENPC1PKM

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117430738-A Catalyst component for olefin polymerization, catalyst and application thereof 中国石油化工股份有限公司 2024-01-23 CN claimed
CN-117430737-A Catalyst component for olefin polymerization, catalyst and application thereof 中国石油化工股份有限公司 2024-01-23 CN claimed
CN-117430738-A Catalyst component for olefin polymerization, catalyst and application thereof 中国石油化工股份有限公司 2024-01-23 CN disclosed
CN-117430737-A Catalyst component for olefin polymerization, catalyst and application thereof 中国石油化工股份有限公司 2024-01-23 CN disclosed