SCHEMBL4045273

SCHEMBL4045273

CCCCc1ccsc1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.41
BCAT2 O15382 1/20 0.41
GPR35 Q9HC97 1/20 0.38
IKBKB O14920 1/20 0.38
CASP3 P42574 2/20 0.38
SENP8 Q96LD8 2/20 0.38
SENP7 Q9BQF6 2/20 0.38
SENP6 Q9GZR1 2/20 0.38
MAPK8 P45983 1/20 0.37
MAPK10 P53779 1/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 1/20 0.37
GAA P10253 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
LTB4R Q15722 2/20 0.36
ALOX5 P09917 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TYR P14679 1/20 0.36

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
SCHEMBL15286612 0.95 GPR35 (0.43) PKMBCAT2GPR35ALDH1A1LTB4R
SCHEMBL6928575 0.93 GPR35 (0.46) PKMGPR35LTB4RCYSLTR2CYSLTR1
SCHEMBL30412970 0.92 GPR35 (0.45) PKMGPR35LTB4RCYSLTR2CYSLTR1
SCHEMBL3077087 0.89 PKM (0.43) PKMBCAT2IKBKBMAPK8MAPK10
SCHEMBL27675976 0.84 GPR35 (0.49) GPR35ALDH1A1LTB4RHPGDHSD17B10
SCHEMBL18599007 0.84 TYR (0.41) GPR35CASP3SENP8SENP7SENP6
SCHEMBL2279587 0.83 BCAT2 (0.47) PKMBCAT2IKBKBMAPK8MAPK10
SCHEMBL30230239 0.83 BCAT2 (0.41) PKMBCAT2MAPK8MAPK10ALDH1A1
SCHEMBL1935630 0.82 LTB4R (0.40) PKMBCAT2IKBKBMAPK8MAPK10
Formamide SCHEMBL27759308 0.81 GPR35 (0.44) GPR35LTB4RGABRPGABRDGABRA1

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-2038289-A2 THIENO-[2,3-D]PYRIMIDINE AND THIENO-PYRIDAZINE COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2009-03-25 EP disclosed
WO-2007124181-A2 THIENO-[2,3-D]PYRIMIDINE AND THIENO-PYRIDAZINE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2007-11-01 WO disclosed