SCHEMBL29348201

SCHEMBL29348201

O=c1ccccn1-c1ccc(-c2ccccc2Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.48
SCN9A Q15858 1/20 0.43
F10 P00742 9/20 0.42
PAK1 Q13153 2/20 0.42
MAOB P27338 2/20 0.41
TNKS2 Q9H2K2 1/20 0.40
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GRM2 Q14416 1/20 0.39
DGAT1 O75907 1/20 0.38

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
SCHEMBL10059892 0.78 ALDH1A1 (0.50) CYP2A6SCN9AMAOBTNKS2
SCHEMBL4212713 0.77 F10 (0.56) F10
SCHEMBL3667343 0.73 GRM5 (0.47) SCN9APAK1MAOB
SCHEMBL10059904 0.73 CYP1A2 (0.38) CYP2A6SCN9ATNKS2
SCHEMBL143175 0.72 ALDH1A1 (0.54) F10
SCHEMBL2645575 0.71 DDB1 (0.41) F10
SCHEMBL142777 0.70 F10 (0.44) F10
SCHEMBL2539751 0.70 F10 (0.39) F10
SCHEMBL1277801 0.70 FAAH (0.43) F10
SCHEMBL92819 0.70 KDM4E (0.57) F10NPSR1

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-2024151547-A1 TARGETED DEGRADATION OF VAV1 MONTE ROSA THERAPEUTICS, INC. (US) 2024-07-18 WO disclosed