SCHEMBL8832776

SCHEMBL8832776

CCCC(=O)Nc1nnc(CC)s1

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KAT8 Q9H7Z6 1/20 0.74
HSD17B10 Q99714 1/20 0.72
POLB P06746 3/20 0.67
CYP1A2 P05177 1/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2C9 P11712 1/20 0.65
CYP2C19 P33261 1/20 0.65
ALDH1A1 P00352 2/20 0.63
GAA P10253 1/20 0.63
MAPT P10636 1/20 0.63
KMT2A Q03164 3/20 0.62
MEN1 O00255 2/20 0.62
TSHR P16473 2/20 0.62
HTT P42858 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.60
CYP2D6 P10635 1/20 0.60
GLS O94925 1/20 0.60

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
SCHEMBL14192408 0.86 KAT8 (0.69) KAT8POLBCYP1A2ALDH1A1GAA
SCHEMBL12354953 0.83 KAT8 (0.65) KAT8HSD17B10POLBALDH1A1GAA
SCHEMBL8282186 0.83 KAT8 (0.65) KAT8HSD17B10POLBALDH1A1GAA
SCHEMBL28759581 0.82 ATM (0.67) KAT8HSD17B10POLBALDH1A1GAA
SCHEMBL29360795 0.81 KAT8 (0.58) KAT8HSD17B10POLBALDH1A1GAA
SCHEMBL11509330 0.81 SMN1; SMN2 (0.81) HSD17B10POLBCYP1A2CYP3A4CYP2C9
SCHEMBL5629418 0.80 RAB9A (0.68) KAT8HSD17B10POLBALDH1A1GAA
SCHEMBL29353446 0.80 KAT8 (0.61) KAT8HSD17B10POLBALDH1A1GAA
SCHEMBL6374673 0.79 KAT8 (0.60) KAT8HSD17B10POLBALDH1A1GAA
SCHEMBL27571956 0.79 ATM (0.63) KAT8HSD17B10POLBALDH1A1GAA

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-5654322-A HYPOTENSIVE AGENTS, CEREBRAL APOPLEXY WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1997-08-05 US disclosed
EP-0656355-A1 BIPHENYLMETHANE DERIVATIVE AND MEDICINE CONTAINING THE SAME WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1995-06-07 EP disclosed