SCHEMBL13759252

SCHEMBL13759252

CCCN(CCC)c1nc(NC(=O)Nc2cccc(OC)c2)cc(OCCN2CCOCC2)n1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.51
▸ EPHX2 P34913 14/20 0.50
▸ CASR P41180 1/20 0.47
▸ HTR2A P28223 1/20 0.46
▸ HTR2C P28335 1/20 0.46
▸ RAF1 P04049 2/20 0.46
▸ BRAF P15056 2/20 0.46
▸ USP2 O75604 1/20 0.45
▸ TSHR P16473 1/20 0.45

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
SCHEMBL13759001 0.91 KDR (0.49) EPHX2HTR2AHTR2CBRAFTSHR
SCHEMBL13759251 0.87 MAPK14 (0.51) POLBTSHR
SCHEMBL13759248 0.86 MAPK14 (0.49) EPHX2HTR2AHTR2CBRAFTSHR
SCHEMBL425124 0.85 POLB (0.55) POLBEPHX2HTR2AHTR2CRAF1
SCHEMBL13759253 0.82 KDR (0.46) POLBUSP2
SCHEMBL13759249 0.77 HRH3 (0.56) HTR2AHTR2C
SCHEMBL3111943 0.75 AURKB (0.48) EPHX2HTR2AHTR2C
SCHEMBL428259 0.74 TSHR (0.52) POLBEPHX2HTR2AHTR2CBRAF
SCHEMBL11926368 0.74 POLB (0.58) POLBEPHX2CASRHTR2A
SCHEMBL14530764 0.73 NPC1 (0.47) —

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
WO-2009100406-A2 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS SYNTA PHARMACEUTICALS CORP. (US) 2009-08-13 — — WO disclosed
WO-2007050980-A2 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2007-05-03 — — WO disclosed
Send feedback