SCHEMBL11040313

SCHEMBL11040313

CC(=O)NCCc1ccc(-c2nc[nH]c2C)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
F13A1 P00488 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
PTGS1 P23219 1/20 0.44
BLM P54132 1/20 0.44
HIF1A Q16665 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ACACB O00763 6/20 0.44
QPCT Q16769 1/20 0.43
QPCTL Q9NXS2 1/20 0.43
MTNR1A P48039 2/20 0.40
WDR5 P61964 1/20 0.40
KMT2A Q03164 1/20 0.40
MTNR1B P49286 1/20 0.40
NAMPT P43490 1/20 0.39

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
SCHEMBL10913150 0.85 KDM4E (0.44) KDM4EF13A1ALDH1A1LMNAMAPT
SCHEMBL18612329 0.76 NISCH (0.41) SMN1; SMN2LMNAMAPTHSD17B10
SCHEMBL10592850 0.75 KDM4E (0.84) KDM4EF13A1SMN1; SMN2ALDH1A1LMNA
SCHEMBL4400656 0.75 GABRR1 (0.53) KDM4EF13A1LMNABLMQPCT
SCHEMBL11038741 0.74 KDM4E (0.53) KDM4EF13A1SMN1; SMN2ALDH1A1LMNA
SCHEMBL5503996 0.74 KDM4E (0.53) KDM4EF13A1SMN1; SMN2ALDH1A1LMNA
SCHEMBL661278 0.72 KDM4E (0.72) KDM4EF13A1SMN1; SMN2ALDH1A1LMNA
SCHEMBL8884154 0.72 KDM4E (0.50) KDM4EF13A1SMN1; SMN2ALDH1A1LMNA
SCHEMBL10066080 0.71 KDM4E (0.66) KDM4EF13A1SMN1; SMN2ALDH1A1LMNA
SCHEMBL11713261 0.71 KDM4E (0.89) KDM4EF13A1SMN1; SMN2ALDH1A1LMNA

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