SCHEMBL9598245

SCHEMBL9598245

[O]Cc1cn(Cc2ccccc2)cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2E1 P05181 1/20 0.51
CYP2A6 P11509 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2B6 P20813 1/20 0.51
CYP2C19 P33261 1/20 0.51
HPGDS O60760 1/20 0.49
KDM4C Q9H3R0 2/20 0.48
KDM5A P29375 1/20 0.48
KDM5B Q9UGL1 1/20 0.48
CYP19A1 P11511 3/20 0.44
CYP11B1 P15538 2/20 0.44
CYP11B2 P19099 2/20 0.44
PHF8 Q9UPP1 1/20 0.44
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
TBXAS1 P24557 1/20 0.44
QPCT Q16769 1/20 0.44

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
SCHEMBL28417071 0.86 HPGDS (0.49) CYP3A4CYP2D6CYP2E1CYP2A6CYP2C9
SCHEMBL30741761 0.84 HPGDS (0.50) CYP3A4CYP2D6CYP2E1CYP2A6CYP2C9
SCHEMBL28417084 0.84 HPGDS (0.50) CYP3A4CYP2D6CYP2E1CYP2A6CYP2C9
SCHEMBL1187114 0.82 KDM4E (0.50) CYP3A4CYP2D6CYP2E1CYP2A6CYP2C9
SCHEMBL5023714 0.82 HPGDS (0.49) CYP3A4CYP2D6CYP2E1CYP2A6CYP2C9
SCHEMBL28422539 0.82 HPGDS (0.49) CYP3A4CYP2D6CYP2E1CYP2A6CYP2C9
SCHEMBL28074771 0.82 HPGDS (0.49) CYP3A4CYP2D6CYP2E1CYP2A6CYP2C9
SCHEMBL2804549 0.81 HPGDS (0.46) CYP3A4CYP2D6CYP2E1CYP2A6CYP2C9
SCHEMBL7399708 0.81 KDM4C (0.51) CYP3A4CYP2D6CYP2E1CYP2A6CYP2C9
Hydrochloric Acid SCHEMBL8762068 0.80 KDM4C (0.50) CYP3A4CYP2D6CYP2E1CYP2A6CYP2C9

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-5270322-A Imidazo[1,2-a]pyridines, pharmaceutical compositions containing these compounds and processes for preparing them DR. KARL THOMAE GMBH (DE) 1993-12-14 US disclosed