SCHEMBL5049092

SCHEMBL5049092

COc1ccncc1-c1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.49
GCGR P47871 2/20 0.46
MAPK14 Q16539 2/20 0.46
NAAA Q02083 1/20 0.45
SLC22A12 Q96S37 1/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2E1 P05181 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2A6 P11509 2/20 0.42
CYP2B6 P20813 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2C8 P10632 1/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42

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
SCHEMBL27718711 0.84 GCGR (0.44) GSK3BGCGRMAPK14SLC22A12MEN1
SCHEMBL12864158 0.82 NAAA (0.47) NAAASLC22A12CYP1A2CYP2E1CYP2D6
SCHEMBL21180023 0.81 ERN1 (0.44) NAAASMN1; SMN2CYP1A2CYP2E1CYP2D6
SCHEMBL27892826 0.81 CYP1A2 (0.51) GCGRMAPK14NAAASLC22A12CYP1A2
SCHEMBL6291800 0.81 NAAA (0.46) GSK3BNAAASLC22A12CYP1A2CYP2E1
SCHEMBL27892845 0.80 GSK3B (0.48) GSK3BNAAASLC22A12MEN1KMT2A
SCHEMBL22230061 0.80 PDE10A (0.51) GSK3BNAAACYP1A2CYP2E1CYP2D6
SCHEMBL6627488 0.78 KDM4E (0.61) SMN1; SMN2CYP1A2CYP2E1CYP2D6CYP2A6
SCHEMBL5887724 0.77 GSK3B (0.41) GSK3BGCGRMAPK14NAAASLC22A12
SCHEMBL2039564 0.77 NAAA (0.46) GSK3BNAAASLC22A12CYP1A2CYP2E1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1986633-A2 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY Summit Corporation Plc (GB) 2008-11-05 EP disclosed
WO-2007091106-A2 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2007-08-16 WO disclosed