SCHEMBL8935356

SCHEMBL8935356

CC(c1ccccc1NCc1ccccc1)C(N)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.44
HIF1A Q16665 1/20 0.41
ALDH1A1 P00352 2/20 0.40
POLB P06746 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HPGD P15428 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
CD38 P28907 1/20 0.40
CDC7 O00311 1/20 0.40
ROCK2 O75116 1/20 0.40
MAP4K4 O95819 1/20 0.40
GSK3B P49841 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
RPS6KB1 P23443 1/20 0.40
HDAC8 Q9BY41 2/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MAPT P10636 2/20 0.39
BACE1 P56817 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
SCHEMBL7397108 0.77 POLB (0.48) HSD17B10HIF1AALDH1A1POLBL3MBTL1
SCHEMBL14686239 0.76 HSD17B10 (0.50) HSD17B10ALDH1A1POLBL3MBTL1HPGD
SCHEMBL10490374 0.76 HSD17B10 (0.50) HSD17B10HIF1AALDH1A1POLBL3MBTL1
SCHEMBL12859084 0.75 HSD17B10 (0.53) HSD17B10POLBL3MBTL1HPGDMAPT
SCHEMBL7382915 0.71 CXCL8 (0.49) HSD17B10HIF1AALDH1A1POLBL3MBTL1
SCHEMBL28864994 0.71 HSD17B10 (0.49) HSD17B10HIF1AALDH1A1POLBL3MBTL1
SCHEMBL17468739 0.71 HSD17B10 (0.49) HSD17B10ALDH1A1POLBL3MBTL1HPGD
SCHEMBL30311518 0.71 HSD17B10 (0.63) HSD17B10ALDH1A1POLBL3MBTL1HPGD
SCHEMBL2754257 0.71 HSD17B10 (0.63) HSD17B10ALDH1A1POLBL3MBTL1HPGD
SCHEMBL12798712 0.69 L3MBTL1 (0.56) HSD17B10HIF1AALDH1A1POLBL3MBTL1

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
US-5502079-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS FARMITALIA CARLO ERBA S.R.L. (IT) 1996-03-26 US disclosed