SCHEMBL5759322

SCHEMBL5759322

COCOc1ccc(CCCO)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
GLA P06280 1/20 0.47
CSNK2A1 P68400 2/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
HPGD P15428 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
CYP4A11 Q02928 1/20 0.40
BACE1 P56817 1/20 0.39
ATM Q13315 1/20 0.39
MAPT P10636 2/20 0.38
MAPK10 P53779 1/20 0.38
IGF1R P08069 1/20 0.37
ALOX15 P16050 1/20 0.37
PPARG P37231 1/20 0.37

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
SCHEMBL16960215 0.84 SMN1; SMN2 (0.52) SMN1; SMN2GLACSNK2A1NPC1RAB9A
SCHEMBL26641603 0.84 TNKS2 (0.51) SMN1; SMN2GLATNKS2CYP4A11
SCHEMBL8308188 0.81 SMN1; SMN2 (0.46) SMN1; SMN2GLACSNK2A1NPC1RAB9A
SCHEMBL3332061 0.78 SMN1; SMN2 (0.44) SMN1; SMN2GLACSNK2A1NPC1RAB9A
SCHEMBL15022597 0.78 MEN1 (0.48) SMN1; SMN2TNKS2CYP4A11PPARG
SCHEMBL5760155 0.78 SMN1; SMN2 (0.44) SMN1; SMN2GLACSNK2A1NPC1RAB9A
SCHEMBL7467338 0.76 ALDH1A1 (0.50) SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL5758935 0.75 CYP4F2 (0.50) SMN1; SMN2GLAHPGDCYP4A11ATM
SCHEMBL31265277 0.74 TNKS2 (0.56) GLATNKS2CYP4A11ATMMAPT
SCHEMBL16954839 0.74 SMN1; SMN2 (0.52) SMN1; SMN2GLACSNK2A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1270571-B1 Heterocyclic compounds, their production and use TAKEDA PHARMACEUTICAL (JP) 2006-09-06 EP disclosed
EP-1270571-A1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-01-02 EP disclosed
CN-1349990-A Heterocyclic compound, its preparation and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-05-22 CN disclosed
CN-1077107-C Heterocyclic compounds, their preparation and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-01-02 CN disclosed
US-6211215-B1 AROMATIC HETEROCYCLIC COMPOUND WITH AZOLE COMPOUND TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-04-03 US disclosed
CN-1223653-A Heterocyclic compounds, their preparation and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-07-21 CN disclosed