SCHEMBL31015643

SCHEMBL31015643

Cc1cc(-c2ccc(C#N)cc2C(=O)Cl)cc(Cl)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.45
EIF4E P06730 3/20 0.40
CASP1 P29466 1/20 0.37
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
TGFBR1 P36897 1/20 0.35
PPARG P37231 4/20 0.35
SCN2A Q99250 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
CYP11B2 P19099 1/20 0.34
GRM5 P41594 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
STAT3 P40763 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL31015721 0.90 EIF4E (0.49) ADORA2AEIF4ECASP1HCRTR1HCRTR2
SCHEMBL31015632 0.86 ADORA2A (0.45) ADORA2AEIF4EMEN1KMT2AL3MBTL1
SCHEMBL31015744 0.80 ALDH1A1 (0.41) ADORA2AEIF4EPPARGSCN2ASCN10A
SCHEMBL24820105 0.80 EIF4E (0.50) EIF4ECASP1PPARGKDM4C
SCHEMBL30792116 0.80 EIF4E (0.50) EIF4ECASP1PPARGKDM4C
SCHEMBL31319278 0.78 ADORA2A (0.46) ADORA2AEIF4EPPARGCYP11B2GRM5
SCHEMBL24820114 0.78 KDM4E (0.43) EIF4ECASP1PPARGCYP11B2MEN1
SCHEMBL31319331 0.72 ADORA2A (0.48) ADORA2AHCRTR1HCRTR2PPARGCYP11B2
SCHEMBL31319310 0.72 EIF4E (0.43) EIF4ECASP1HCRTR1HCRTR2CYP11B2
SCHEMBL24820115 0.72 ALDH1A1 (0.44) EIF4EPPARGMEN1KMT2AKDM4E

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-2024153246-A1 SUBSTITUTED TRICYCLIC COMPOUND AND USE THEREOF 海南先声再明医药股份有限公司 2024-07-25 WO disclosed