SCHEMBL2489819

SCHEMBL2489819

O=C(Nc1ccc(-c2ccc(Cl)cc2)cn1)c1ccc(Oc2cc3c(cc2Cl)CCCO3)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 10/20 0.50
NPC1 O15118 5/20 0.48
RAB9A P51151 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
CASP3 P42574 2/20 0.47
SENP8 Q96LD8 2/20 0.47
SENP7 Q9BQF6 2/20 0.47
SENP6 Q9GZR1 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
DEGS1 O15121 1/20 0.45
TP53 P04637 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPT P10636 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 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
SCHEMBL2486854 0.93 PTGDR2 (0.49) PTGDR2NPC1RAB9ASMN1; SMN2CASP3
SCHEMBL2489027 0.91 DEGS1 (0.50) PTGDR2NPC1RAB9ASMN1; SMN2CASP3
SCHEMBL2489986 0.90 PTGDR2 (0.53) PTGDR2NPC1RAB9ASMN1; SMN2CASP3
SCHEMBL2488127 0.89 PTGDR2 (0.49) PTGDR2
SCHEMBL2490235 0.87 PTGDR2 (0.53) PTGDR2
SCHEMBL2489044 0.86 PTGDR2 (0.49) PTGDR2NPC1RAB9A
SCHEMBL2492872 0.85 PTGDR2 (0.50) PTGDR2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL2492752 0.85 PTGDR2 (0.56) PTGDR2
SCHEMBL2489821 0.84 PTGDR2 (0.69) PTGDR2NPC1RAB9A
SCHEMBL2489963 0.84 PTGDR2 (0.50) PTGDR2NPC1RAB9A

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