SCHEMBL9070804

SCHEMBL9070804

Cc1ccccc1CCc1cc(C(=O)Nc2ccc(C(=O)O)cn2)nc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 2/20 0.50
▸ PTGFR P43088 1/20 0.48
▸ GCK P35557 13/20 0.47
▸ RARA P10276 1/20 0.46
▸ RARB P10826 1/20 0.46
▸ RARG P13631 1/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ HCRTR1 O43613 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ NFKB2 Q00653 1/20 0.46
▸ RELA Q04206 1/20 0.46
▸ P2RY14 Q15391 1/20 0.43

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
SCHEMBL2654259 0.86 GCK (0.51) HCAR3PTGFRGCKRARARARB
SCHEMBL5233630 0.74 HCAR3 (0.56) HCAR3GCKRARARARBRARG
SCHEMBL4737042 0.74 GRM5 (0.44) NPC1RAB9ASMN1; SMN2HCRTR1TP53
SCHEMBL2666296 0.74 GCK (0.77) HCAR3GCKRARARARBRARG
SCHEMBL5235844 0.72 HCAR3 (0.68) HCAR3PTGFRGCKNPC1RAB9A
SCHEMBL11564378 0.72 HCAR3 (0.61) HCAR3
SCHEMBL5236663 0.71 HCAR3 (0.66) HCAR3PTGFRGCKNPC1RAB9A
SCHEMBL20913335 0.71 HCAR3 (0.56) HCAR3PTGFRNPC1RAB9ASMN1; SMN2
SCHEMBL4675406 0.71 GCK (0.60) HCAR3PTGFRGCKRARARARB
SCHEMBL2653449 0.71 GCK (0.63) HCAR3GCKRARARARBRARG

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-2004045614-A1 QUINOLINE DERIVATIVES AS GLUCOKINASE LIGANDS ASTRAZENECA AB (SE) 2004-06-03 — — WO disclosed
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