SCHEMBL5718697

SCHEMBL5718697

Cn1ccc2ccc(N)cc21.Cn1ccc2ccc(N)cc21

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.70
CYP2A6 P11509 2/20 0.53
PIK3CB P42338 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
BRPF1 P55201 2/20 0.44
EGFR P00533 1/20 0.41
MAPT P10636 5/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
NSD2 O96028 1/20 0.41
CYP3A4 P08684 3/20 0.38
HSD17B10 Q99714 2/20 0.38
GRM4 Q14833 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
CASP1 P29466 2/20 0.37
CASP7 P55210 2/20 0.37
HBB P68871 2/20 0.37
HIF1A Q16665 2/20 0.37
LMNA P02545 2/20 0.37

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
SCHEMBL398452 1.00 PRKCI (0.70) PRKCICYP2A6PIK3CBL3MBTL1BRPF1
SCHEMBL29507010 1.00 PRKCI (0.70) PRKCICYP2A6PIK3CBL3MBTL1BRPF1
Hydrochloric Acid SCHEMBL397061 0.98 PRKCI (0.68) PRKCICYP2A6PIK3CBL3MBTL1BRPF1
SCHEMBL31039616 0.86 PRKCI (0.53) PRKCICYP2A6PIK3CBL3MBTL1BRPF1
SCHEMBL30006940 0.83 PRKCI (1.00) PRKCICYP2A6PIK3CBBRPF1EGFR
SCHEMBL721707 0.83 PRKCI (1.00) PRKCICYP2A6PIK3CBBRPF1EGFR
SCHEMBL5133705 0.82 PRKCI (0.50) PRKCICYP2A6MAPTALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL7350283 0.81 PRKCI (0.96) PRKCICYP2A6PIK3CBBRPF1EGFR
SCHEMBL26697735 0.78 PRKCI (0.49) PRKCICYP2A6PIK3CBL3MBTL1BRPF1
SCHEMBL30775573 0.78 PRKCI (0.49) PRKCICYP2A6PIK3CBL3MBTL1BRPF1

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-1732884-A1 SULPHONAMIDE DERIVATIVES Biotie Therapies Corp. (FI) 2006-12-20 EP disclosed
WO-2005090298-A1 SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORPORATION (FI) 2005-09-29 WO disclosed