SCHEMBL11820380

SCHEMBL11820380

CCc1ncn(-c2nc(Cl)cc3ccccc23)c1CC

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.35
MKNK2 Q9HBH9 2/20 0.35
GABRG2 P18507 3/20 0.34
GABRB3 P28472 3/20 0.34
GABRA5 P31644 3/20 0.34
MAT2A P31153 1/20 0.33
GABRA1 P14867 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
SLC6A2 P23975 1/20 0.32
ATM Q13315 1/20 0.32
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRA6 Q16445 1/20 0.31
CYP2C19 P33261 1/20 0.31
FABP3 P05413 1/20 0.30
FABP4 P15090 1/20 0.30
FABP5 Q01469 1/20 0.30
GRM4 Q14833 1/20 0.30
PTGER4 P35408 1/20 0.30

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
SCHEMBL11816652 0.85 GABRG2 (0.36) MKNK1MKNK2GABRG2GABRB3GABRA5
SCHEMBL11822511 0.83 GABRG2 (0.36) MKNK1MKNK2GABRG2GABRB3GABRA5
SCHEMBL11816777 0.77 FABP4 (0.36) MKNK1MKNK2GABRG2GABRB3GABRA5
SCHEMBL11816596 0.75 CYP1A2 (0.43) GABRG2GABRB3GABRA5GABRA1L3MBTL1
SCHEMBL11818894 0.75 TSHR (0.40) L3MBTL1SLC6A2CYP2C19
SCHEMBL16516540 0.73 L3MBTL1 (0.44) MAT2AL3MBTL1ATMCYP2C19FABP3
SCHEMBL11820624 0.72 FAAH (0.40) L3MBTL1
SCHEMBL11824198 0.70 CYP2A6 (0.40) ATM
SCHEMBL11822572 0.68 KDR (0.44)
SCHEMBL11821610 0.66 NPC1 (0.46) MKNK1MKNK2L3MBTL1

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
US-3961062-A Pharmaceutical composition containing 1-(imidazole-1-yl)-isoquinolines and method of treating hyperlipemia HOECHST AKTIENGESELLSCHAFT (DT) 1976-06-01 US disclosed