SCHEMBL10504416

SCHEMBL10504416

Cc1cccc(Nc2ccccc2C(=O)OCc2ccncc2)c1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.54
▸ CYP2C9 P11712 2/20 0.54
▸ PTGS2 P35354 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ AKR1B10 O60218 1/20 0.54
▸ TRPA1 O75762 1/20 0.54
▸ ABCB11 O95342 1/20 0.54
▸ DHFR P00374 1/20 0.54
▸ MPO P05164 1/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ CHRM1 P11229 1/20 0.54
▸ AKR1B1 P15121 1/20 0.54
▸ PTGS1 P23219 1/20 0.54
▸ AKR1C3 P42330 1/20 0.54
▸ AKR1C2 P52895 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ AKR1C1 Q04828 1/20 0.54
▸ HIF1A Q16665 1/20 0.54
▸ NAPRT Q6XQN6 1/20 0.54

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
SCHEMBL10503724 0.88 PTGS2 (0.52) LMNACYP2C9PTGS2MEN1AKR1B10
SCHEMBL10503885 0.87 TP53 (0.52) LMNACYP2C9PTGS2MEN1AKR1B10
SCHEMBL10503599 0.82 LMNA (0.53) LMNACYP2C9PTGS2MEN1AKR1B10
SCHEMBL10503671 0.82 KMT2A (0.50) LMNACYP2C9PTGS2MEN1AKR1B10
SCHEMBL29071476 0.80 KDM4E (0.71) LMNACYP2C9KMT2AALDH1A1KDM4E
SCHEMBL10505053 0.79 LMNA (0.49) LMNACYP2C9PTGS2MEN1AKR1B10
SCHEMBL30593451 0.78 PTGS2 (0.71) LMNACYP2C9PTGS2MEN1AKR1B10
SCHEMBL11344390 0.78 PTGS2 (0.71) LMNACYP2C9PTGS2MEN1AKR1B10
SCHEMBL11520899 0.77 LMNA (0.58) LMNACYP2C9PTGS2MEN1AKR1B10
SCHEMBL10503582 0.76 MEN1 (0.51) LMNACYP2C9PTGS2MEN1AKR1B10

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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