SCHEMBL7459145

SCHEMBL7459145

CNc1cc(N)cc(-c2ccsc2)c1CCOC

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.35
IMPDH2 P12268 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 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
CHEK2 O96017 2/20 0.32
PRMT6 Q96LA8 1/20 0.32
GFER P55789 1/20 0.32
FYN P06241 1/20 0.32
TDO2 P48775 1/20 0.31
KCNH2 Q12809 1/20 0.31
IDH2 P48735 2/20 0.31
MAOB P27338 2/20 0.30
MAOA P21397 1/20 0.30

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
SCHEMBL7460891 0.85 CYP2A6 (0.36) CYP2A6IMPDH2MEN1KMT2AUSP2
SCHEMBL7458230 0.78 CYP1A2 (0.31)
SCHEMBL7461930 0.78 MEN1 (0.34) MEN1KMT2AUSP2HSD17B10FYN
SCHEMBL7462797 0.78 MEN1 (0.35) CYP2A6IMPDH2MEN1KMT2AUSP2
SCHEMBL7459952 0.77
SCHEMBL7455593 0.76 CHEK2 (0.33) CYP2A6IMPDH2MEN1KMT2AUSP2
SCHEMBL7808831 0.72 ADRA1D (0.31)
SCHEMBL7800944 0.72 ADORA2A (0.37) MEN1KMT2AMAPTALOX15HSD17B10
SCHEMBL7809834 0.72
SCHEMBL7456956 0.72 IMPDH2 (0.48) CYP2A6IMPDH2MEN1KMT2AUSP2

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