SCHEMBL8607489

SCHEMBL8607489

CCOC(=O)c1cnc2cccc(C=O)n12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.46
TGFBR1 P36897 1/20 0.44
GAA P10253 3/20 0.41
CYP1A2 P05177 3/20 0.41
KDM4E B2RXH2 2/20 0.39
GLA P06280 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
MAPK1 P28482 1/20 0.39
GABRA1 P14867 3/20 0.38
GABRB2 P47870 3/20 0.38
CYP3A4 P08684 2/20 0.38
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
GABRA2 P47869 2/20 0.38
LMNA P02545 2/20 0.38

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
SCHEMBL7875409 0.83 GAA (0.51) IDO1TGFBR1GAACYP1A2KDM4E
SCHEMBL8886598 0.81 IDO1 (0.43) IDO1TGFBR1GAACYP1A2KDM4E
SCHEMBL8886587 0.81 IDO1 (0.43) IDO1TGFBR1GAACYP1A2KDM4E
SCHEMBL7872427 0.81 IDO1 (0.46) IDO1TGFBR1GAACYP1A2KDM4E
SCHEMBL8607204 0.81 IDO1 (0.50) IDO1TGFBR1GAACYP1A2KDM4E
SCHEMBL8607422 0.80 IDO1 (0.45) IDO1TGFBR1GAACYP1A2KDM4E
SCHEMBL7863563 0.79 IDO1 (0.46) IDO1TGFBR1GAACYP1A2KDM4E
SCHEMBL8587743 0.78 GAA (0.48) IDO1TGFBR1GAACYP1A2KDM4E
SCHEMBL8607817 0.77 IDO1 (0.43) IDO1TGFBR1GAACYP1A2KDM4E
SCHEMBL12549923 0.76 IDO1 (0.44) IDO1TGFBR1GAACYP1A2KDM4E

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