SCHEMBL9316319

SCHEMBL9316319

[c]1nc(-c2cnco2)cs1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.42
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
NOTUM Q6P988 1/20 0.36
GAA P10253 1/20 0.36
ROCK2 O75116 1/20 0.35
KEAP1 Q14145 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAP4K4 O95819 1/20 0.33
LTA4H P09960 1/20 0.31

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
SCHEMBL549435 0.69 MAPT (0.50) LMNAPKMMEN1KMT2A
SCHEMBL8482556 0.69
SCHEMBL1830802 0.67 CYP1A2 (0.36) CYP2D6
SCHEMBL10449014 0.67 PTK2 (0.39) PTK2LMNAPKMNOTUMGAA
SCHEMBL3598228 0.67 PTK2 (0.44) PTK2LMNAPKMNOTUMGAA
SCHEMBL17444516 0.67
SCHEMBL17701198 0.67 PTK2 (0.39) PTK2LMNAPKMNOTUMGAA
SCHEMBL2150991 0.66 ROCK2 (0.49) PTK2LMNAPKMNOTUMGAA
SCHEMBL7240451 0.65 ATM (0.33)
SCHEMBL28450882 0.65 NOTUM (0.38) NOTUM

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-5338849-A Treating hyperlipidemia, atherosclerosis LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1994-08-16 US disclosed
US-5219859-A Chloesterol acyltransferase inhibitors; antilipemic agents; antidiabetic agents; atherosclerosis LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1993-06-15 US disclosed