SCHEMBL11038741

SCHEMBL11038741

CC(=O)NCCc1ccc(-c2c[nH]cn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
F13A1 P00488 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
PTGS1 P23219 1/20 0.46
BLM P54132 1/20 0.46
HIF1A Q16665 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ACACB O00763 5/20 0.45
TP53 P04637 3/20 0.43
QPCT Q16769 1/20 0.41
QPCTL Q9NXS2 1/20 0.41
MTNR1A P48039 2/20 0.41
MTNR1B P49286 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
SCHEMBL10912854 0.84 KDM4E (0.45) KDM4EF13A1MAPTALDH1A1LMNA
SCHEMBL10592850 0.76 KDM4E (0.84) KDM4EF13A1SMN1; SMN2MAPTALDH1A1
SCHEMBL514228 0.74 QPCT (0.49) KDM4EF13A1SMN1; SMN2MAPTALDH1A1
SCHEMBL11040313 0.74 KDM4E (0.51) KDM4EF13A1SMN1; SMN2MAPTALDH1A1
SCHEMBL11713261 0.72 KDM4E (0.89) KDM4EF13A1SMN1; SMN2MAPTALDH1A1
SCHEMBL10066080 0.72 KDM4E (0.66) KDM4EF13A1SMN1; SMN2MAPTALDH1A1
SCHEMBL5503996 0.72 KDM4E (0.53) KDM4EF13A1SMN1; SMN2MAPTALDH1A1
SCHEMBL4482880 0.72 METAP2 (0.49) KDM4ESMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL29938013 0.72 CA2 (0.46) ALDH1A1LMNAHPGD
SCHEMBL2028394 0.71 TGM2 (0.52) ALDH1A1LMNA

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
US-4465841-A ANTISECRETORY, ANTIULCER AGENTS INSTITUTO DE ANGELI S.P.A. (IT) 1984-08-14 US disclosed
US-4386099-A GASTROINTESTINAL DISORDERS, ULCERS ISTITUTO DE ANGELI S.P.A. (IT) 1983-05-31 US disclosed