SCHEMBL7461528

SCHEMBL7461528

COCCN(CCOC)c1ccc(N)cc1-c1ccsc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.40
CYP2A6 P11509 1/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
USP2 O75604 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SLC6A9 P48067 1/20 0.33
KDR P35968 2/20 0.33
GFER P55789 1/20 0.33
TDO2 P48775 1/20 0.33
KCNH2 Q12809 1/20 0.33
CHEK2 O96017 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
CRHR1 P34998 2/20 0.31
MAOB P27338 2/20 0.31
MAOA P21397 1/20 0.31
BACE1 P56817 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
SCHEMBL7459102 0.88 IMPDH2 (0.39) IMPDH2CYP2A6MEN1KMT2AUSP2
SCHEMBL6572090 0.83 CRHR1 (0.34) MEN1KMT2AMAPTGFERCRHR1
SCHEMBL7460770 0.82 IMPDH2 (0.43) IMPDH2CYP2A6MEN1KMT2AUSP2
SCHEMBL6573595 0.82 CRHR1 (0.34) MAPTCRHR1
Hydrochloric Acid SCHEMBL7455613 0.81 IMPDH2 (0.42) IMPDH2CYP2A6MEN1KMT2AUSP2
SCHEMBL6572255 0.80 CRHR1 (0.38) CRHR1MAOAFYN
SCHEMBL6571013 0.80 CRHR1 (0.38) MEN1KMT2AMAPTHSD17B10CRHR1
SCHEMBL6571975 0.78 GRM2 (0.38) CRHR1FYN
SCHEMBL6571986 0.78 MEN1 (0.41) MEN1KMT2ACRHR1
SCHEMBL6572104 0.78 CRHR1 (0.32) CRHR1

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