SCHEMBL2489986

SCHEMBL2489986

O=C(Nc1cnc(-c2ccc(Cl)cc2)cn1)c1ccc(Oc2cc3c(cc2Cl)CCCO3)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 18/20 0.53
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.41
CASP3 P42574 1/20 0.41
KMT2A Q03164 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 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
SCHEMBL2492508 0.92 PTGDR2 (0.48) PTGDR2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL2489819 0.90 PTGDR2 (0.50) PTGDR2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL2492872 0.89 PTGDR2 (0.50) PTGDR2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL2492752 0.87 PTGDR2 (0.56) PTGDR2
SCHEMBL2490235 0.87 PTGDR2 (0.53) PTGDR2
SCHEMBL2489821 0.86 PTGDR2 (0.69) PTGDR2NPC1RAB9A
SCHEMBL2489963 0.86 PTGDR2 (0.50) PTGDR2NPC1RAB9A
SCHEMBL2488127 0.85 PTGDR2 (0.49) PTGDR2
SCHEMBL2489827 0.85 PTGDR2 (0.51) PTGDR2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL2486854 0.84 PTGDR2 (0.49) PTGDR2NPC1RAB9ASMN1; SMN2MEN1

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