SCHEMBL7788050

SCHEMBL7788050

Nc1ccc(NC(=O)C2CCCN2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 3/20 0.62
SCN9A Q15858 3/20 0.62
ULK1 O75385 1/20 0.56
PSMB8 P28062 2/20 0.54
SCN5A Q14524 1/20 0.52
RAB9A P51151 2/20 0.48
EPHX1 P07099 1/20 0.48
GAA P10253 1/20 0.48
TERT O14746 1/20 0.47
DHODH Q02127 1/20 0.46
MAPT P10636 1/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL4564880 1.00 SCN3A (0.62) SCN3ASCN9AULK1PSMB8SCN5A
SCHEMBL15652522 0.95 ULK1 (0.62) SCN3ASCN9AULK1PSMB8SCN5A
SCHEMBL15652723 0.92 SCN3A (0.52) SCN3ASCN9AULK1PSMB8SCN5A
SCHEMBL13388756 0.87 SCN3A (0.64) SCN3ASCN9AULK1PSMB8SCN5A
SCHEMBL7692273 0.86 SCN3A (0.56) SCN3ASCN9AULK1PSMB8SCN5A
SCHEMBL29365790 0.86 SCN3A (0.56) SCN3ASCN9AULK1PSMB8SCN5A
SCHEMBL24609551 0.84 SCN3A (0.55) SCN3ASCN9AULK1PSMB8SCN5A
SCHEMBL13379539 0.84 SCN3A (0.58) SCN3ASCN9AULK1PSMB8SCN5A
SCHEMBL873241 0.84 SCN3A (0.55) SCN3ASCN9AULK1PSMB8SCN5A
SCHEMBL1751199 0.84 SCN3A (0.55) SCN3ASCN9AULK1PSMB8SCN5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0937713-B1 N-(4-Aminophenyl) prolineamide in oxidative hair dye system BRISTOL MYERS SQUIBB CO (US) 2001-10-17 EP claimed