SCHEMBL20179486

SCHEMBL20179486

OCOc1cccc2ccc(O)nc12

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 4/20 0.45
MCHR1 Q99705 11/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41

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
SCHEMBL25869080 0.81 MEN1 (0.61) MEN1KMT2A
SCHEMBL731221 0.80 KDM4E (0.56) MEN1KMT2A
SCHEMBL16106785 0.78 MCHR1 (0.62) MCHR1MEN1KMT2A
SCHEMBL5884489 0.78 MCHR1 (0.69) NCF1MCHR1
SCHEMBL17430073 0.75 MCHR1 (0.68) MCHR1
SCHEMBL15532332 0.72 KMT2A (0.51) MCHR1MEN1KMT2A
SCHEMBL2089465 0.70 KDM4E (0.44) NCF1MCHR1MEN1KMT2A
SCHEMBL30082244 0.70 METAP2 (0.63) NCF1MEN1KMT2A
SCHEMBL672744 0.70 METAP2 (0.63) NCF1MEN1KMT2A
SCHEMBL17430064 0.69 MCHR1 (0.59) MCHR1

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-2018093695-A1 FACTOR XIIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-05-24 WO disclosed