SCHEMBL7459102

SCHEMBL7459102

COCCN(C)c1ccc(N)cc1-c1ccsc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.39
CYP2A6 P11509 1/20 0.35
SLC6A9 P48067 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CHEK2 O96017 2/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
USP2 O75604 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HTR1D P28221 1/20 0.33
KDR P35968 2/20 0.32
GFER P55789 1/20 0.32
TDO2 P48775 1/20 0.32
KCNH2 Q12809 1/20 0.32
FLT1 P17948 1/20 0.31
FLT4 P35916 1/20 0.31
CYP3A4 P08684 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
SCHEMBL7461528 0.88 IMPDH2 (0.40) IMPDH2CYP2A6SLC6A9MEN1KMT2A
SCHEMBL7460881 0.84 IMPDH2 (0.41) IMPDH2CYP2A6SLC6A9MEN1KMT2A
SCHEMBL8069861 0.79 IMPDH2 (0.51) IMPDH2CYP2A6MEN1KMT2ACHEK2
Hydrochloric Acid SCHEMBL7462117 0.78 IMPDH2 (0.50) IMPDH2CYP2A6MEN1KMT2ACHEK2
SCHEMBL7461921 0.77 GBA1 (0.35) MEN1KMT2AUSP2ALOX15HSD17B10
SCHEMBL7459948 0.77 CRHR1 (0.35) CYP3A4DPP4
SCHEMBL7458226 0.77 CYP3A4 (0.31) CYP3A4DPP4
SCHEMBL7806018 0.77 HDAC1 (0.38) SLC6A9MEN1KMT2AUSP2MAPT
SCHEMBL7462791 0.77 KCNH2 (0.38) IMPDH2CYP2A6SLC6A9MEN1KMT2A
SCHEMBL7455584 0.75 IMPDH2 (0.38) IMPDH2CYP2A6MEN1KMT2ACHEK2

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-0963982-B1 New diaminobenzene derivatives and these componends containing colouring agents WELLA AG (DE) 2002-03-13 EP disclosed
US-6132475-A FOR OXIDATION DYEING OF KERATIN FIBERS; INCLUDES COUPLER AND DEVELOPER, IN WHICH THE DEVELOPER IS A SUBSTITUTED 2-(FURYL, THIENYL, PYRROLYL, OR SELENOPHENE) P-DIAMINOBENZENE DERIVATIVE OF GIVEN FORMULA; COLORFASTNESS, WASHFASTNESS WELLA AKTIENGESELLSCHAFT (DE) 2000-10-17 US disclosed
EP-0963982-A2 New diaminobenzene derivatives and these componends containing colouring agents Wella Aktiengesellschaft (DE) 1999-12-15 EP disclosed