SCHEMBL5318652

SCHEMBL5318652

NCc1ccc(F)cc1.O=C(O)c1cccn2cc(-c3ccc(Cl)cc3)nc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.59
HTR2A P28223 1/20 0.53
ALDH1A3 P47895 4/20 0.49
ALDH1A2 O94788 1/20 0.49
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
TP53 P04637 3/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.48
PKM P14618 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 1/20 0.47
TMIGD3 P0DMS9 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL5335058 0.95 DHODH (0.65) DHODHHTR2AALDH1A3ALDH1A2NPC1
SCHEMBL5333968 0.85 DHODH (0.79) DHODHALDH1A3ALDH1A2NPC1RAB9A
SCHEMBL5076366 0.78 DHODH (0.63) DHODHHTR2AALDH1A3ALDH1A2NPC1
SCHEMBL10211959 0.75 DHODH (1.00) DHODHHTR2AALDH1A3ALDH1A2NPC1
SCHEMBL1481133 0.75 DHODH (0.94) DHODHHTR2AALDH1A3ALDH1A2NPC1
SCHEMBL18038275 0.73 DHODH (0.79) DHODHHTR2AALDH1A3ALDH1A2NPC1
SCHEMBL5344215 0.73 DHODH (0.56) DHODHHTR2AALDH1A3ALDH1A2NPC1
SCHEMBL1419869 0.73 DHODH (0.73) DHODHHTR2AALDH1A3ALDH1A2NPC1
SCHEMBL1419912 0.72 DHODH (0.61) DHODHHTR2ANPC1RAB9AKDM4E
SCHEMBL22615102 0.71 RAB9A (0.68) DHODHALDH1A3ALDH1A2NPC1RAB9A

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
WO-2007086080-A2 NOVEL IMIDAZO[1,2-a]PYRIDINE CANNABINOID RECEPTOR LIGANDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS LIMITED (IN) 2007-08-02 WO disclosed