SCHEMBL2633865

SCHEMBL2633865

C=CCOC(=O)Nc1cccc(CNc2ccccn2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 4/20 0.49
FABP1 P07148 1/20 0.46
FABP6 P51161 1/20 0.46
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA4 P43681 1/20 0.45
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
KDM4E B2RXH2 1/20 0.44
AURKA O14965 1/20 0.44
AURKB Q96GD4 1/20 0.44
MAPT P10636 1/20 0.44
CXCR4 P61073 1/20 0.44
JAK1 P23458 2/20 0.43
JAK2 O60674 1/20 0.43
CSF1R P07333 1/20 0.43
TYK2 P29597 1/20 0.43
BTK Q06187 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL19035598 0.80 CHRNB2 (0.61) CHRNB2CHRNB4CHRNA3CHRNA4NPC1
SCHEMBL23938006 0.79 FABP1 (0.55) JAK3FABP1FABP6NPC1RAB9A
SCHEMBL7012473 0.76 MGLL (0.47) NPC1RAB9AMAPTSMN1; SMN2LMNA
SCHEMBL7016488 0.75 JAK2 (0.48) JAK3MAPTJAK1JAK2
SCHEMBL160077 0.72 NPC1 (0.54) NPC1RAB9AKDM4ESMN1; SMN2LMNA
SCHEMBL10054969 0.72 FABP1 (0.79) FABP1FABP6NPC1RAB9AKDM4E
SCHEMBL10192014 0.71 HSD17B10 (0.53) NPC1RAB9AMAPTSMN1; SMN2LMNA
SCHEMBL11652274 0.70 CHRNB2 (0.59) CHRNB2CHRNB4CHRNA3CHRNA4NPC1
SCHEMBL23009285 0.70 MEN1 (0.48) NPC1RAB9AKDM4EMAPTLMNA
SCHEMBL15293591 0.69 CXCR4 (0.60) JAK3FABP1FABP6NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2536717-B1 AMINOTHIAZOLONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-06-04 EP disclosed
EP-2536716-B1 AMINOTHIAZOLONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-05-21 EP disclosed
EP-2536717-A1 AMINOTHIAZOLONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS Janssen Pharmaceutica, N.V. (BE) 2012-12-26 EP disclosed
EP-2536716-A1 AMINOTHIAZOLONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS Janssen Pharmaceutica, N.V. (BE) 2012-12-26 EP disclosed
EP-2513096-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-A MODULATORS Janssen Pharmaceutica, N.V. (BE) 2012-10-24 EP disclosed
EP-2132188-B1 SUBSTITUTED PHENOXY N-ALKYLATED THIAZOLEDINEDIONE AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-12-14 EP disclosed
WO-2011149841-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-α MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-12-01 WO disclosed
EP-2134698-A1 SUBSTITUTED PHENOXY AMINOTHIAZOLONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS Janssen Pharmaceutica, N.V. (BE) 2009-12-23 EP disclosed
EP-2132188-A2 SUBSTITUTED PHENOXY N-ALKYLATED THIAZOLEDINEDIONE AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS Janssen Pharmaceutica N.V. (BE) 2009-12-16 EP disclosed
EP-2129668-A1 SUBSTITUTED PHENOXY THIAZOLIDINEDIONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS Janssen Pharmaceutica N.V. (BE) 2009-12-09 EP disclosed
WO-2008109727-A1 SUBSTITUTED PHENOXY THIAZOLIDINEDIONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-12 WO disclosed
WO-2008109737-A1 SUBSTITUTED PHENOXY AMINOTHIAZOLONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-12 WO disclosed
WO-2008109731-A2 SUBSTITUTED PHENOXY N-ALKYLATED THIAZOLEDINEDIONE AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JASSEN PHARMACEUTICA N.V. (BE) 2008-09-12 WO disclosed