SCHEMBL13330766

SCHEMBL13330766

CCOC(=O)c1ccc(-c2noc(-c3cn4cc(C(C)(F)F)cc(Cl)c4n3)n2)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 8/20 0.40
RARB P10826 8/20 0.40
RARG P13631 8/20 0.40
MAPT P10636 5/20 0.39
TP53 P04637 2/20 0.39
TSHR P16473 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
POLB P06746 2/20 0.38
HSD17B10 Q99714 1/20 0.38
NFKB1 P19838 3/20 0.38
NFKB2 Q00653 3/20 0.38
RELA Q04206 3/20 0.38
KDM4E B2RXH2 2/20 0.38

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
SCHEMBL2495280 0.94 NPC1 (0.44) RARARARBRARGMAPTTP53
SCHEMBL3339957 0.88 RARA (0.39) RARARARBRARGMAPTTP53
SCHEMBL2494462 0.84 NPC1 (0.42) RARARARBRARGMAPTTP53
SCHEMBL13331063 0.83 NPC1 (0.39) RARARARBRARGMAPTALDH1A1
SCHEMBL13330598 0.81 SMN1; SMN2 (0.53) MAPTTP53TSHRALDH1A1LMNA
SCHEMBL3341615 0.80 NPC1 (0.51) RARARARBRARGMAPTALDH1A1
SCHEMBL2505933 0.80 NPC1 (0.41) RARARARBRARGMAPTALDH1A1
SCHEMBL13303772 0.80 NPC1 (0.41) RARARARBRARGMAPTALDH1A1
SCHEMBL13330603 0.80 NPC1 (0.41) MAPTALDH1A1LMNANPC1RAB9A
SCHEMBL3342970 0.79 NPC1 (0.47) RARARARBRARGMAPTALDH1A1

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-2010065760-A1 IMIDAZO [1,2A] PYRIDINE DERIVATIVES, THEIR USE AS S1P1 AGONISTS AND METHODS FOR THEIR PRODUCTION EXELIXIS, INC. (US) 2010-06-10 WO disclosed