SCHEMBL6208708

SCHEMBL6208708

CC(=O)c1c([C]=O)[nH]c2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.55
▸ EGFR P00533 3/20 0.46
▸ SRC P12931 2/20 0.46
▸ NR4A2 P43354 2/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ KMT2A Q03164 4/20 0.44
▸ LMNA P02545 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ MITF O75030 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ MTNR1A P48039 1/20 0.43
▸ MTNR1B P49286 1/20 0.43
▸ PBRM1 Q86U86 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40

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
SCHEMBL6857314 0.83 MAP2 (0.45) KDM4EEGFRSRCNR4A2TDP1
SCHEMBL5705595 0.77 NR4A2 (0.67) KDM4ENR4A2KMT2ALMNARAB9A
SCHEMBL28584430 0.77 KDM4E (0.60) KDM4EEGFRSRCNR4A2TDP1
SCHEMBL6487558 0.75 KDM4E (0.63) KDM4EKMT2AALDH1A1MEN1
SCHEMBL8504135 0.75 NR4A2 (0.68) KDM4EEGFRSRCNR4A2TDP1
SCHEMBL2929140 0.74 AHR (0.55) KDM4EKMT2ALMNARAB9AALDH1A1
SCHEMBL2339411 0.74 KDM4E (0.66) KDM4ENR4A2TDP1KMT2AALDH1A1
SCHEMBL29955046 0.74 KDM4E (0.66) KDM4ENR4A2TDP1KMT2AALDH1A1
SCHEMBL26963262 0.72 KDM4E (0.55) KDM4EEGFRSRCNR4A2TDP1
SCHEMBL13062894 0.72 KDM4E (0.55) KDM4EEGFRSRCNR4A2TDP1

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-1556349-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS 11-BETAHSD1 INHIBITORS Astrazeneca AB (SE) 2005-07-27 — — EP disclosed
WO-2004033427-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS 11-BETAHSD1 INHIBITORS ASTRAZENECA AB (SE) 2004-04-22 — — WO disclosed
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