SCHEMBL7806591

SCHEMBL7806591

CCC(C)N(CC)c1cc(N)ccc1OC

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.44
MAPT P10636 5/20 0.44
KDM4E B2RXH2 4/20 0.44
HTT P42858 2/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 6/20 0.38
USP2 O75604 2/20 0.38
CYP19A1 P11511 3/20 0.37
LMNA P02545 1/20 0.37
NR4A1 P22736 1/20 0.36
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
CRHR1 P34998 1/20 0.33

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
SCHEMBL1413112 0.77 GAA (0.51) GAAMAPTKDM4EHTTTSHR
SCHEMBL9398336 0.76 MAPT (0.50) GAAMAPTKDM4EHTTTSHR
SCHEMBL6605467 0.75 ALDH1A1 (0.46) GAAMAPTKDM4EHTTTSHR
SCHEMBL11343961 0.74 CYP1A2 (0.43) GAAMAPTKDM4EHTTTSHR
SCHEMBL27396405 0.73 ALDH1A1 (0.41) GAAMAPTKDM4EALDH1A1MEN1
SCHEMBL1640545 0.71 APP (0.56) GAAMAPTKDM4EHTTTSHR
SCHEMBL12046938 0.70 ACHE (0.46) MAPTKDM4ETSHRMAPK1ALDH1A1
SCHEMBL2812472 0.70 MAPT (0.47) GAAMAPTKDM4EHTTTSHR
SCHEMBL20794059 0.69 MAPT (0.54) GAAMAPTKDM4EHTTTSHR
Ammonia Solution, Strong SCHEMBL1148656 0.69 MAPT (0.46) GAAMAPTKDM4EHTTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1089099-C Monoazo dyes substituted by haloalkylacarbamate and sulphonylfluoride group BASF AG (DE) 2002-08-14 CN disclosed
EP-0923621-B1 MONOAZO DYES SUBSTITUTED BY HALOALKYLCARBAMATE AND SULPHONYLFLUORIDE GROUPS DYSTAR TEXTILFARBEN GMBH & CO (DE) 2001-05-16 EP disclosed
US-5973127-A WATER INSOLUBILITY; COLORING SYNTHETIC TEXTILE FABRICS BASF AKTIENGESELLSCHAFT (DE) 1999-10-26 US disclosed
CN-1225656-A Monoazo dyes substituted by haloalkyl carbamate and sulfonyl fluoride BASF AG (DE) 1999-08-11 CN disclosed
EP-0923621-A1 MONOAZO DYES SUBSTITUTED BY HALOALKYLCARBAMATE AND SULPHONYLFLUORIDE GROUPS BASF AKTIENGESELLSCHAFT (DE) 1999-06-23 EP disclosed
WO-1997049770-A9 MONOAZO DYES SUBSTITUTED BY HALOALKYLCARBAMATE AND SULPHONYLFLUORIDE GROUPS 1998-12-23 WO disclosed
WO-1997049770-A1 MONOAZO DYES SUBSTITUTED BY HALOALKYLCARBAMATE AND SULPHONYLFLUORIDE GROUPS BASF AKTIENGESELLSCHAFT (DE) 1997-12-31 WO disclosed