SCHEMBL9635784

SCHEMBL9635784

C#CCOc1ccc(-c2nc3cnccc3[nH]2)c(OCC(=O)O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A1 P04798 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP1B1 Q16678 1/20 0.37
PARP1 P09874 1/20 0.37
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
PDE2A O00408 1/20 0.36
P2RY12 Q9H244 1/20 0.36
PDE5A O76074 6/20 0.36
PTGDR2 Q9Y5Y4 3/20 0.36
TOP1 P11387 1/20 0.35
TOP2A P11388 1/20 0.35
FABP4 P15090 1/20 0.35
CASR P41180 2/20 0.35
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
PTPN1 P18031 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
SCHEMBL9635773 0.96 PDE3B (0.39) MEN1POLBKMT2ACYP1A1CYP1A2
SCHEMBL9634529 0.91 PDE3B (0.43) MEN1POLBKMT2APDE3BPDE3A
SCHEMBL9634591 0.90 TOP1 (0.40) CYP1A1CYP1A2CYP1B1PARP1PDE3B
SCHEMBL9636063 0.90 PDE5A (0.38) MEN1POLBKMT2ACYP1A1CYP1A2
SCHEMBL9634942 0.88 PDE3B (0.41) CYP1A2PARP1PDE3BPDE3AP2RY12
SCHEMBL9634114 0.86 PDE5A (0.41) CYP1A1CYP1A2CYP1B1PARP1PDE3B
SCHEMBL9634582 0.86 PDE5A (0.40) CYP1A1CYP1A2CYP1B1PDE3BPDE3A
SCHEMBL9634873 0.86 PDE5A (0.38) MEN1POLBKMT2APDE3BPDE3A
SCHEMBL9635731 0.85 TOP1 (0.37) CYP1A1CYP1A2CYP1B1PARP1PDE3B
SCHEMBL9634126 0.85 TOP1 (0.37) CYP1A1CYP1A2CYP1B1PARP1PDE3B

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-5104881-A 2-ARYLIMIDAZOPYRIDINES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-04-14 US disclosed
US-4616090-A 2-arylimidazopyridines intermediates MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-10-07 US disclosed