SCHEMBL11550474

SCHEMBL11550474

CC(=O)NCCc1cc[c]nc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
F13A1 P00488 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
PTGS1 P23219 1/20 0.47
BLM P54132 1/20 0.47
HIF1A Q16665 1/20 0.47
HSD17B10 Q99714 1/20 0.47
QPCT Q16769 1/20 0.43
QPCTL Q9NXS2 1/20 0.43
ACACB O00763 5/20 0.42
MTNR1A P48039 3/20 0.42
MTNR1B P49286 1/20 0.42
POLB P06746 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
SCHEMBL11546885 0.84 KMT2A (0.41) KDM4EF13A1SMN1; SMN2MTNR1AMTNR1B
SCHEMBL4991609 0.83 KMT2A (0.46) KDM4ESMN1; SMN2ALDH1A1MAPTPOLB
SCHEMBL11197065 0.81 KMT2A (0.55) KDM4ESMN1; SMN2ALDH1A1MAPTACACB
SCHEMBL667359 0.78 KDM4E (0.65) KDM4EF13A1SMN1; SMN2ALDH1A1LMNA
SCHEMBL11547458 0.77 ACHE (0.48)
SCHEMBL2091579 0.75 KDM4E (0.57) KDM4EF13A1SMN1; SMN2ALDH1A1LMNA
SCHEMBL10592850 0.74 KDM4E (0.84) KDM4EF13A1SMN1; SMN2ALDH1A1LMNA
SCHEMBL5523315 0.74 CYP11B1 (0.41) KDM4EALDH1A1LMNAMAPTHSD17B10
SCHEMBL15492721 0.72 KDM4E (0.62) KDM4EF13A1SMN1; SMN2ALDH1A1LMNA
SCHEMBL48869 0.72 POLB (0.60) KDM4EF13A1SMN1; SMN2ALDH1A1MAPT

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-4139623-A HYPOTENSIVE AGENTS C-G CORP. (US) 1979-02-13 US disclosed
US-4027027-A BETA-RECEPTOR-BLOCKERS, HYPOTENSIVES AND VALODILATORS; FOR TREATING ARRYTHMIAS AND ANGINA PECTORIS CIBA-GEIGY CORPORATION (US) 1977-05-31 US disclosed