SCHEMBL2492508

SCHEMBL2492508

O=C(Nc1cnc(-c2cccc(Cl)c2)cn1)c1ccc(Oc2cc3c(cc2Cl)CCCO3)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 17/20 0.48
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
CASP3 P42574 1/20 0.39
KMT2A Q03164 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
GRM5 P41594 1/20 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
SCHEMBL2489986 0.92 PTGDR2 (0.53) PTGDR2NPC1RAB9AMEN1CASP3
SCHEMBL2486854 0.90 PTGDR2 (0.49) PTGDR2NPC1RAB9AMEN1CASP3
SCHEMBL2489639 0.89 PTGDR2 (0.45) PTGDR2NPC1RAB9A
SCHEMBL2490747 0.89 PTGDR2 (0.61) PTGDR2GRM5
SCHEMBL2487257 0.88 PTGDR2 (0.51) PTGDR2GRM5
SCHEMBL2489612 0.87 PTGDR2 (0.48) PTGDR2GRM5
SCHEMBL2492708 0.86 PTGDR2 (0.45) PTGDR2NPC1RAB9ACASP3SENP7
SCHEMBL2489819 0.83 PTGDR2 (0.50) PTGDR2NPC1RAB9AMEN1CASP3
SCHEMBL2489767 0.83 PTGDR2 (0.44) PTGDR2NPC1RAB9AGRM5
SCHEMBL2132527 0.83 PTGDR2 (0.71) PTGDR2

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
EP-2379535-A1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES Array Biopharma Inc. (US) 2011-10-26 EP disclosed