SCHEMBL900596

SCHEMBL900596

CCOP(=O)(CS(=O)(=O)N1CCN(c2cc(C)nc3ccccc23)CC1)OCC.Cc1cc(N2CCN(S(C)(=O)=O)CC2)c2ccccc2n1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.56
LMNA P02545 3/20 0.56
MAPK1 P28482 3/20 0.56
USP2 O75604 2/20 0.56
HSD17B10 Q99714 2/20 0.56
PKM P14618 1/20 0.56
SMN1; SMN2 Q16637 5/20 0.52
NPSR1 Q6W5P4 2/20 0.52
TSHR P16473 1/20 0.52
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
NCF1 P14598 6/20 0.47
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
RECQL P46063 1/20 0.44
GBA1 P04062 1/20 0.41
ADAM17 P78536 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
SCHEMBL900221 0.96 HTT (0.60) HTTLMNAMAPK1USP2HSD17B10
SCHEMBL900149 0.84 HTT (0.77) HTTLMNAMAPK1USP2HSD17B10
SCHEMBL899676 0.73 KMT2A (0.52) HTTLMNAMAPK1USP2HSD17B10
SCHEMBL900251 0.70 HTT (0.62) HTTLMNAMAPK1USP2HSD17B10
SCHEMBL900252 0.70 HTT (0.62) HTTLMNAMAPK1USP2HSD17B10
SCHEMBL8229816 0.70 NCF1 (0.76) HTTLMNAMAPK1USP2HSD17B10
SCHEMBL5065450 0.69 NCF1 (0.88) HTTLMNAMAPK1USP2HSD17B10
SCHEMBL31217463 0.68 HTT (1.00) HTTLMNAMAPK1USP2HSD17B10
SCHEMBL15286518 0.68 SMO (0.52) LMNAHSD17B10MEN1KMT2AMAPT
SCHEMBL6125246 0.68 NCF1 (0.75) HTTLMNAMAPK1USP2HSD17B10

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-2621923-A1 N-HETEROARYL COMPOUNDS WITH CYCLIC BRIDGING UNIT FOR THE TREATMENT OF PARASITIC DISEASES Intervet International B.V. (NL) 2013-08-07 EP disclosed
WO-2012041872-A1 N-HETEROARYL COMPOUNDS WITH CYCLIC BRIDGING UNIT FOR THE TREATMENT OF PARASITIC DISEASES INTERVET INTERNATIONAL B.V. (NL) 2012-04-05 WO disclosed