SCHEMBL4049609

SCHEMBL4049609

CN1CCCC(Oc2ccc3nc(-c4ccc(Cl)cc4Cl)cn3n2)C1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
IL1B P01584 1/20 0.37
NLRP3 Q96P20 1/20 0.37
POLB P06746 1/20 0.37
LMNA P02545 1/20 0.37
HTR2C P28335 4/20 0.35
HTR2B P41595 4/20 0.35
ATR Q13535 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
GSK3B P49841 1/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
SLC6A4 P31645 1/20 0.34
HTR6 P50406 1/20 0.34

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
SCHEMBL3866194 0.79 PIM1 (0.47) L3MBTL1IL1BNLRP3POLB
SCHEMBL15473971 0.78 ADORA2A (0.41) IL1BNLRP3LMNACHRM2CHRM4
SCHEMBL3871965 0.76 MKNK1 (0.47) LMNA
SCHEMBL4049613 0.75 L3MBTL1 (0.39) L3MBTL1POLBHTR2CHTR2BATR
SCHEMBL5419832 0.72 L3MBTL1 (0.44) L3MBTL1IL1BPOLBHTR2CHTR2B
SCHEMBL15473558 0.71 PDE10A (0.43) LMNA
SCHEMBL20145059 0.69 L3MBTL1 (0.49) L3MBTL1IL1BNLRP3POLBHTR2C
SCHEMBL3867408 0.68 PIM1 (0.50) L3MBTL1IL1BNLRP3
SCHEMBL25798904 0.68 IL1B (0.52) L3MBTL1IL1BNLRP3POLBHTR2C
SCHEMBL3866569 0.67 PIM1 (0.66)

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
EP-2044071-A1 OOXO-SUBSTITUTED IMIDAZO[1,2b]PYRIDAZINES, PRODUCTION AND USE THEREOF AS DRUGS Bayer Schering Pharma Aktiengesellschaft (DE) 2009-04-08 EP claimed
WO-2007147646-A1 OXO-SUBSTITUTED IMIDAZO[1,2b]PYRIDAZINES, PRODUCTION AND USE THEREOF AS DRUGS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-12-27 WO claimed