SCHEMBL5363983

SCHEMBL5363983

Cc1ccc(-c2ccc(-c3cn4ncsc4n3)c(C)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.51
TP53 P04637 6/20 0.51
GAA P10253 3/20 0.47
F2RL3 Q96RI0 1/20 0.39
SMN1; SMN2 Q16637 6/20 0.36
NPC1 O15118 5/20 0.36
RAB9A P51151 5/20 0.36
ALDH1A1 P00352 3/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MITF O75030 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL2996722 0.83 TP53 (0.71) MAPTTP53GAAF2RL3SMN1; SMN2
SCHEMBL5300838 0.82 TP53 (0.62) MAPTTP53GAAF2RL3SMN1; SMN2
SCHEMBL5371749 0.75 ALDH1A3 (0.40) MAPTTP53GAASMN1; SMN2NPC1
SCHEMBL5365310 0.74 LRRK2 (0.35) MAPTTP53GAAF2RL3SMN1; SMN2
SCHEMBL5363986 0.71 ALDH1A1 (0.39) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL20337636 0.68 NPC1 (0.39) MAPTTP53GAASMN1; SMN2NPC1
SCHEMBL5364794 0.67 NPC1 (0.51) MAPTTP53GAASMN1; SMN2NPC1
SCHEMBL5368687 0.66 KDM4E (0.33) MAPTTP53GAAF2RL3SMN1; SMN2
SCHEMBL5375882 0.66 NPC1 (0.41) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL19618901 0.65 ESR2 (0.43) NPC1RAB9AALDH1A1ARMEN1

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-2007034282-A2 DIARYL-IMIDAZOLE COMPOUNDS CONDENSED WITH A HETEROCYCLE AS C3A RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2007-03-29 WO disclosed