SCHEMBL6091835

SCHEMBL6091835

N#CSc1cc(Cl)c(N)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
USP2 O75604 1/20 0.45
USP8 P40818 1/20 0.45
USP5 P45974 1/20 0.45
USP4 Q13107 1/20 0.45
USP7 Q93009 1/20 0.45
ALDH1A1 P00352 3/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
NPC1 O15118 1/20 0.32
TSHR P16473 3/20 0.32
CYP3A4 P08684 2/20 0.32
TP53 P04637 1/20 0.32
CD44 P16070 1/20 0.32
KDM4E B2RXH2 1/20 0.32
THRB P10828 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPK1 P28482 1/20 0.31
MYC P01106 1/20 0.31
WDR5 P61964 1/20 0.31

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
SCHEMBL11367939 0.89 USP2 (0.47) GAAUSP2USP8USP5USP4
SCHEMBL26944293 0.82 USP2 (0.41) USP2USP8USP5USP4USP7
SCHEMBL10415132 0.78 USP2 (0.38) GAAUSP2USP8USP5USP4
SCHEMBL11874781 0.73 PDE7A (0.53) GAAUSP2USP8USP5USP4
SCHEMBL6974220 0.73 MAPT (0.47) ALDH1A1POLBMAPTTSHRCYP3A4
SCHEMBL11173991 0.72 USP2 (0.56) USP2USP8USP5USP4USP7
SCHEMBL64092 0.71 GAA (1.00) GAAALDH1A1NPC1TSHRCYP3A4
SCHEMBL10412909 0.70 USP2 (0.60) USP2USP8USP5USP4USP7
SCHEMBL7979164 0.69 ALDH1A1 (0.56) GAAUSP2USP8USP5USP4
SCHEMBL12273316 0.68 ITGB2 (0.46) GAAUSP2USP8USP5USP4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006099957-A1 INSECTICIDAL AND ACARICIDAL ANILINOTRIAZOLES BAYER CROPSCIENCE AG (DE) 2006-09-28 WO disclosed
US-5102994-A Monoazo dyes; colorfastness, for polyesters BAYER AKTIENGESELLSCHAFT (DE) 1992-04-07 US disclosed
EP-0423563-A1 Azodyestuffs BAYER AG (DE) 1991-04-24 EP disclosed
US-4913728-A HERBICIDES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1990-04-03 US disclosed
US-4331817-A SULFIDING IN THE PRESENCE OF HALOGENS MINNESOTA MINING AND MANUFACTURING CO. (US) 1982-05-25 US disclosed
US-4002659-A Ethyl 2',5'-dichloro-4'-thiocyanatofumaranilate MORTON-NORWICH PRODUCTS, INC. (US) 1977-01-11 US disclosed