SCHEMBL6978978

SCHEMBL6978978

[N]C1NCCCCC1Cc1cccs1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.38
HPGD P15428 2/20 0.37
POLB P06746 3/20 0.36
CYP3A4 P08684 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
LTA4H P09960 1/20 0.34
HRH3 Q9Y5N1 2/20 0.34
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL25281534 0.77 POLB (0.54) HSD17B10HPGDPOLBKMT2AMEN1
SCHEMBL6980965 0.75 POLB (0.60) POLBLTA4H
SCHEMBL6975490 0.73 KMT2A (0.41) HPGDPOLBKMT2AMEN1ALOX15
SCHEMBL9520411 0.73 POLB (0.49) HSD17B10POLBLTA4H
SCHEMBL5364784 0.70 KMT2A (0.50) HSD17B10HPGDPOLBKMT2AMEN1
SCHEMBL6977732 0.70 HSD17B10 (0.40) HSD17B10HPGDPOLBKMT2AMEN1
SCHEMBL10722024 0.69 HPGD (0.51) HSD17B10HPGDPOLBKMT2AMEN1
SCHEMBL2375467 0.69 HPGD (0.51) HSD17B10HPGDPOLBKMT2AMEN1
SCHEMBL6978974 0.68 HSD17B10 (0.38) HSD17B10HPGDPOLBCYP3A4KMT2A
SCHEMBL6968878 0.68 HSD17B10 (0.48) HSD17B10HPGDPOLBCYP3A4KMT2A

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-0821674-B1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2003-08-06 EP claimed