SCHEMBL10503582

SCHEMBL10503582

Cc1cccc(Nc2ccccc2C(=O)OCCc2ccccn2)c1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ PTGS2 P35354 2/20 0.51
▸ PTGS1 P23219 2/20 0.51
▸ CHRM1 P11229 2/20 0.51
▸ AKR1B10 O60218 1/20 0.51
▸ TRPA1 O75762 1/20 0.51
▸ ABCB11 O95342 1/20 0.51
▸ DHFR P00374 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ MPO P05164 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ AKR1B1 P15121 1/20 0.51
▸ AKR1C3 P42330 1/20 0.51
▸ AKR1C2 P52895 1/20 0.51
▸ AKR1C1 Q04828 1/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ NAPRT Q6XQN6 1/20 0.51

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
SCHEMBL10503599 0.89 LMNA (0.53) MEN1KMT2APTGS2PTGS1CHRM1
SCHEMBL10503724 0.83 PTGS2 (0.52) MEN1KMT2APTGS2PTGS1CHRM1
SCHEMBL10505053 0.81 LMNA (0.49) MEN1KMT2APTGS2PTGS1CHRM1
SCHEMBL10504159 0.78 PTGS2 (0.49) MEN1KMT2APTGS2PTGS1CHRM1
SCHEMBL10504416 0.76 LMNA (0.54) MEN1KMT2APTGS2PTGS1CHRM1
SCHEMBL4427765 0.76 CHRM1 (0.54) MEN1KMT2APTGS2PTGS1CHRM1
SCHEMBL29481378 0.76 CHRM1 (0.54) MEN1KMT2APTGS2PTGS1CHRM1
SCHEMBL11521221 0.75 LMNA (0.53) MEN1KMT2APTGS2PTGS1CHRM1
Hydrochloric Acid SCHEMBL2584597 0.75 CHRM1 (0.53) MEN1KMT2APTGS2PTGS1CHRM1
SCHEMBL11344390 0.75 PTGS2 (0.71) MEN1KMT2APTGS2PTGS1CHRM1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0200615-B1 ANTHRANILIC ACID ESTER DERIVATIVES AND ANTI-INFLAMMATORY AND ANALGESIC EXTERNAL PREPARATIONS CONTAINING THE SAME SHISEIDO COMPANY LIMITED (JP) 1989-08-16 — — EP disclosed
EP-0200615-A1 Anthranilic acid ester derivatives and anti-inflammatory and analgesic external preparations containing the same SHISEIDO COMPANY LIMITED (JP) 1986-11-05 — — EP disclosed
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