SCHEMBL2492492

SCHEMBL2492492

O=C(Nc1ccc(-c2ccc(F)cc2)nn1)c1ccc(Oc2cc3c(cc2Cl)CCCO3)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 16/20 0.48
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
ADCY8 P40145 1/20 0.38
ADCY1 Q08828 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
SCHEMBL2490235 0.94 PTGDR2 (0.53) PTGDR2
SCHEMBL2489689 0.88 PTGDR2 (0.62) PTGDR2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2492872 0.83 PTGDR2 (0.50) PTGDR2NPC1RAB9ASMN1; SMN2
SCHEMBL2130246 0.83 PTGDR2 (0.71) PTGDR2
SCHEMBL2489821 0.82 PTGDR2 (0.69) PTGDR2NPC1RAB9A
SCHEMBL2489986 0.82 PTGDR2 (0.53) PTGDR2NPC1RAB9ASMN1; SMN2
SCHEMBL2489819 0.81 PTGDR2 (0.50) PTGDR2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2131591 0.81 PTGDR2 (0.60) PTGDR2
SCHEMBL17818011 0.81 PTGDR2 (0.57) PTGDR2
SCHEMBL2492752 0.81 PTGDR2 (0.56) 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