SCHEMBL6459667

SCHEMBL6459667

CC(=O)c1cccc(CCC#N)c1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
MAOB P27338 11/20 0.49
MAOA P21397 3/20 0.44
CYP4F2 P78329 2/20 0.44
CYP4A11 Q02928 2/20 0.44
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
IL4I1 Q96RQ9 1/20 0.41
MRGPRX4 Q96LA9 1/20 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
SCHEMBL19382251 0.88 CYP4F2 (0.47) MEN1KMT2AMAOBMAOACYP4F2
SCHEMBL2857678 0.85 MEN1 (0.63) MEN1KMT2AMRGPRX4
SCHEMBL8200768 0.83 MEN1 (0.61) MEN1KMT2ACYP4F2CYP4A11MRGPRX4
SCHEMBL5747177 0.83 MEN1 (0.61) MEN1KMT2AMAOBMAOACYP4F2
SCHEMBL9004062 0.83 MAOB (0.51) MAOBMAOAIL4I1MRGPRX4
SCHEMBL2849191 0.83 CYP4F2 (0.68) MEN1KMT2ACYP4F2CYP4A11MRGPRX4
SCHEMBL6453539 0.82 KMT2A (0.59) MEN1KMT2A
SCHEMBL3995781 0.80 CYP4F2 (0.66) MEN1KMT2ACYP4F2CYP4A11
SCHEMBL10784559 0.79 KMT2A (0.51) MEN1KMT2ACYP4F2CYP4A11MRGPRX4
SCHEMBL4958280 0.79 KAT6A (0.51) MAOBMAOACYP4F2CYP4A11CTSS

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-1606248-A2 SULFONIC ACIDS, THEIR DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dompé S.P.A. (IT) 2005-12-21 EP disclosed
WO-2004080951-A2 SULFONIC ACIDS, THEIR DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE S.P.A. (IT) 2004-09-23 WO disclosed