SCHEMBL8344945

SCHEMBL8344945

NC(=O)Nc1ccc(NC(=O)C=Cc2c(C(=O)O)[nH]c3cc(Cl)cc(Cl)c23)cc1

nearest known ligand 0.84

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR17 Q13304 1/20 0.84
KDM4E B2RXH2 1/20 0.69
MEN1 O00255 1/20 0.69
ALDH1A1 P00352 1/20 0.69
CYP3A4 P08684 1/20 0.69
MAPT P10636 1/20 0.69
HPGD P15428 1/20 0.69
ALOX15 P16050 1/20 0.69
TSHR P16473 1/20 0.69
ALOX12 P18054 1/20 0.69
KMT2A Q03164 1/20 0.69
HSD17B10 Q99714 1/20 0.69
CYSLTR1 Q9Y271 1/20 0.58

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
Gavestinel SCHEMBL678632 0.91 GPR17 (1.00) GPR17KDM4EMEN1ALDH1A1CYP3A4
Gavestinel SCHEMBL1721070 0.91 GPR17 (1.00) GPR17KDM4EMEN1ALDH1A1CYP3A4
Gavestinel SCHEMBL30184856 0.91 GPR17 (1.00) GPR17KDM4EMEN1ALDH1A1CYP3A4
Gavestinel SCHEMBL1995817 0.90 GPR17 (0.98) GPR17KDM4EMEN1ALDH1A1CYP3A4
Gavestinel SCHEMBL1995818 0.90 GPR17 (0.98) GPR17KDM4EMEN1ALDH1A1CYP3A4
Gavestinel SCHEMBL1995813 0.90 GPR17 (0.98) GPR17KDM4EMEN1ALDH1A1CYP3A4
SCHEMBL8344952 0.90 KDM4E (0.83) GPR17KDM4EMEN1ALDH1A1CYP3A4
SCHEMBL18623465 0.89 GPR17 (0.73) GPR17KDM4EMEN1ALDH1A1CYP3A4
SCHEMBL8784436 0.88 GPR17 (0.71) GPR17KDM4EMEN1ALDH1A1CYP3A4
SCHEMBL8784426 0.88 GPR17 (0.71) GPR17KDM4EMEN1ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5919811-A NEURODEGENERATIVE DISORDERS GLAXO WELLCOME S.P.A. (IT) 1999-07-06 US disclosed