SCHEMBL8608772

SCHEMBL8608772

CCOC(=O)c1nc2c(CO)cccn2c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
CYP1A2 P05177 3/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPK1 P28482 2/20 0.44
TP53 P04637 2/20 0.43
HCRTR1 O43613 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
RAB9A P51151 1/20 0.43
ELANE P08246 6/20 0.43
F2 P00734 1/20 0.41
PLAU P00749 1/20 0.41
ALOX12 P18054 1/20 0.41

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
SCHEMBL8608835 0.88 SMN1; SMN2 (0.48) SMN1; SMN2CYP1A2CYP2C9CYP2C19MEN1
SCHEMBL8605795 0.84 SMN1; SMN2 (0.44) SMN1; SMN2CYP1A2CYP2C9CYP2C19MEN1
SCHEMBL6354319 0.83 SMN1; SMN2 (0.50) SMN1; SMN2CYP1A2CYP2C9CYP2C19MEN1
SCHEMBL7009452 0.77 CYP3A4 (0.70) SMN1; SMN2CYP1A2CYP2C9CYP2C19MEN1
SCHEMBL8605677 0.76 SMN1; SMN2 (0.46) SMN1; SMN2CYP1A2CYP2C9CYP2C19MEN1
SCHEMBL30871451 0.75 SMN1; SMN2 (0.48) SMN1; SMN2CYP1A2CYP2C9CYP2C19MEN1
SCHEMBL872190 0.75 PTGS1 (0.68) SMN1; SMN2CYP1A2CYP2C9CYP2C19PTGS1
SCHEMBL10309430 0.75 PDE10A (0.48) SMN1; SMN2MAPK1TP53HCRTR1MAPT
SCHEMBL6360390 0.75 CYP3A4 (0.59) SMN1; SMN2CYP1A2CYP2C9CYP2C19MEN1
SCHEMBL118914 0.74 KDM4E (0.55) SMN1; SMN2CYP1A2CYP2C9CYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5716964-A BRAIN DISORDERS; ANTIISCHEMIC AGENTS G.D. SEARLE & CO. (US) 1998-02-10 US disclosed
EP-0436831-A2 Imidazo[1,2-a]pyridinylalkyl compounds for treatment of neurotoxic injury G.D. Searle & Co. (US) 1991-07-17 EP disclosed
WO-1991008211-A1 IMIDAZO[1,2-a]PYRIDINYLALKYL COMPOUNDS FOR TREATMENT OF NEUROTOXIC INJURY G.D. SEARLE & CO. (US) 1991-06-13 WO disclosed