SCHEMBL7458545

SCHEMBL7458545

CNc1cc(CCOC)cc(-c2ccoc2)c1N

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.34
MEN1 O00255 2/20 0.34
USP2 O75604 2/20 0.34
CYP1A2 P05177 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CASP1 P29466 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
HDAC2 Q92769 4/20 0.33
HDAC1 Q13547 3/20 0.33
PLAU P00749 1/20 0.33
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
FYN P06241 1/20 0.32
ATR Q13535 1/20 0.31
HDAC3 O15379 2/20 0.30
HDAC10 Q969S8 2/20 0.30
HDAC11 Q96DB2 2/20 0.30
HDAC6 Q9UBN7 2/20 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
SCHEMBL7467340 0.85 PLAU (0.37) CSNK2A1HDAC2HDAC1PLAUHDAC3
SCHEMBL7800814 0.78 ADORA2A (0.36) MEN1USP2KMT2AALDH1A1CASP1
SCHEMBL7461930 0.78 MEN1 (0.34) CSNK2A1MEN1USP2CYP1A2KMT2A
SCHEMBL7462797 0.78 MEN1 (0.35) MEN1USP2KMT2AHSD17B10HDAC2
SCHEMBL7457119 0.78 CYP1A2 (0.31) CYP1A2CYP3A4
SCHEMBL7460266 0.77
SCHEMBL7454371 0.76 CSNK2A1 (0.33) CSNK2A1PLAUCYP3A4
SCHEMBL7808604 0.72 HDAC1 (0.36) MEN1KMT2AALDH1A1HDAC2HDAC1
SCHEMBL7465711 0.67 ALDH1A1 (0.45) CSNK2A1MEN1USP2CYP1A2KMT2A
SCHEMBL7459989 0.66 RET (0.36) CSNK2A1MEN1USP2CYP1A2KMT2A

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