SCHEMBL6453539

SCHEMBL6453539

N#CCCc1cccc(C(=O)c2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.59
ATM Q13315 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
SRD5A2 P31213 1/20 0.48
PBRM1 Q86U86 1/20 0.46
CYP19A1 P11511 2/20 0.46
ALDH1A1 P00352 3/20 0.45
NR1H2 P55055 1/20 0.45
NR1H3 Q13133 1/20 0.45
VNN1 O95497 2/20 0.44
GUSB P08236 1/20 0.44
STS P08842 1/20 0.42
HTT P42858 1/20 0.42
CNR2 P34972 1/20 0.41
MAPT P10636 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
SCHEMBL2857678 0.87 MEN1 (0.63) KMT2AMEN1GUSB
SCHEMBL11277259 0.85 L3MBTL1 (0.55) ATMTDP1L3MBTL1SRD5A2PBRM1
SCHEMBL6158425 0.83 L3MBTL1 (0.57) KMT2AMEN1ATMTDP1L3MBTL1
SCHEMBL8200768 0.82 MEN1 (0.61) KMT2AMEN1ALDH1A1NR1H2NR1H3
SCHEMBL5747177 0.82 MEN1 (0.61) KMT2AMEN1NR1H2NR1H3
SCHEMBL6459667 0.82 MEN1 (0.61) KMT2AMEN1
SCHEMBL27676657 0.81 CYP4F2 (0.60) KMT2AMEN1ALDH1A1MAPT
SCHEMBL7394259 0.80 TDP1 (0.61) ATMTDP1L3MBTL1SRD5A2PBRM1
SCHEMBL4669025 0.80 TDP1 (0.61) ATMTDP1L3MBTL1SRD5A2PBRM1
SCHEMBL2849191 0.78 CYP4F2 (0.68) KMT2AMEN1ALDH1A1MAPT

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 3 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
US-4230884-A METHYLATION, HYDROLYSIS, WITH CATALYST LEK, TOVARNA FARMACEVTSKIH IN KEMICNIH IZDELKOV, N.SOL.O. (YU) 1980-10-28 US disclosed