SCHEMBL2014297

SCHEMBL2014297

COC(=O)c1ncccc1SCc1ccc(OC)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.58
PKM P14618 1/20 0.50
KDM4E B2RXH2 3/20 0.49
RXFP1 Q9HBX9 1/20 0.49
TP53 P04637 2/20 0.47
MAPT P10636 5/20 0.46
ALDH1A1 P00352 2/20 0.45
THRB P10828 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MPO P05164 1/20 0.43
FFAR1 O14842 1/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL11876582 0.89 BRD4 (0.46) L3MBTL1PKMKDM4ERXFP1TP53
SCHEMBL2010909 0.88 FFAR1 (0.50) L3MBTL1PKMKDM4ERXFP1TP53
SCHEMBL13058362 0.88 L3MBTL1 (0.64) L3MBTL1PKMKDM4EMAPTALDH1A1
SCHEMBL11875017 0.87 TP53 (0.47) L3MBTL1PKMKDM4ERXFP1TP53
SCHEMBL28326285 0.79 POLB (0.58) L3MBTL1PKMKDM4ETP53MAPT
SCHEMBL15616677 0.77 ALDH1A1 (0.51) KDM4ERXFP1TP53MAPTALDH1A1
SCHEMBL15413923 0.77 TP53 (0.52) KDM4ERXFP1TP53MAPTALDH1A1
SCHEMBL784068 0.76 RAB9A (0.60) L3MBTL1KDM4EMAPTALDH1A1FFAR1
SCHEMBL31407999 0.76 L3MBTL1 (0.64) L3MBTL1PKMMAPTALDH1A1MPO
SCHEMBL2008457 0.76 TP53 (0.37) L3MBTL1PKMKDM4ERXFP1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011064188-A1 INSECTICIDAL METHODS USING NITROGEN-CONTAINING HETEROAROMATIC COMPOUNDS BASF SE (DE) 2011-06-03 WO disclosed
US-5006532-A Enzyme inhibitor; antiinflammatory agents MERCK & CO. INC., INC. (US) 1991-04-09 US disclosed
US-4904672-A Derivatives of 3-hydroxyazabenzo[b]thiophene useful as 5-lipoxygenase inhibitors MERCK & CO., INC. (US) 1990-02-27 US disclosed
US-4767766-A Derivatives of 3-hydroxyazabenzo(B)thiophene useful as 5-lipoxygenase inhibitors MERCK & CO., INC. (US) 1988-08-30 US disclosed
US-3963733-A 3-(P-methoxybenzylthio)2-non-oxocarbonylic pyridines SMITHKLINE CORPORATION (US) 1976-06-15 US disclosed