SCHEMBL5425459

SCHEMBL5425459

CCc1nn(C(C)C)c(=O)c(C(Cc2cccc(F)c2)c2cccc(F)c2)c1-c1ccccc1O

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASR P41180 13/20 0.43
GNRHR P30968 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.34
CHRNE Q04844 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
SCHEMBL5362360 0.90 CASR (0.48) CASRGNRHRMEN1KMT2A
SCHEMBL5477121 0.84 CASR (0.47) CASRGNRHRMEN1KMT2A
SCHEMBL5310935 0.81 CASR (0.48) CASRPOLB
SCHEMBL5413917 0.78 CASR (0.36) CASRGNRHRMEN1KMT2A
SCHEMBL5411840 0.77 CASR (0.43) CASRGNRHRPOLB
SCHEMBL5481284 0.77 POLB (0.45) CASRGNRHRMEN1KMT2APOLB
SCHEMBL5460001 0.73 MEN1 (0.42) CASRGNRHRMEN1KMT2ACHRNE
SCHEMBL5429119 0.73 CASR (0.42) CASRPOLB
SCHEMBL5308386 0.72 CASR (0.54) CASR
SCHEMBL5419037 0.70 CASR (0.38) CASRPOLB

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
WO-2007044796-A2 PYRIDAZINONE COMPOUNDS AS CALCILYTICS NPS PHARMACEUTICALS, INC. (US) 2007-04-19 WO disclosed