SCHEMBL7466976

SCHEMBL7466976

Nc1cc(Cl)c(N)c(-c2ccoc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.47
CYP3A4 P08684 6/20 0.45
ALDH1A1 P00352 3/20 0.45
IMPDH2 P12268 2/20 0.33
TSHR P16473 1/20 0.33
THRB P10828 1/20 0.33
RET P07949 1/20 0.33
PELI1 Q96FA3 2/20 0.33
FYN P06241 1/20 0.31
CYP1A2 P05177 3/20 0.31
CYP2D6 P10635 2/20 0.31
CYP2C19 P33261 2/20 0.31
CLK4 Q9HAZ1 2/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ADORA2A P29274 1/20 0.31
GSK3B P49841 1/20 0.31
ACHE P22303 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
SCHEMBL7457314 0.79 CSNK2A1 (0.37) CSNK2A1CYP3A4ALDH1A1IMPDH2TSHR
SCHEMBL7466570 0.74 CSNK2A1 (0.41) CSNK2A1GSK3B
SCHEMBL7459254 0.74 CSNK2A1 (0.41) CSNK2A1MEN1KMT2AGSK3B
SCHEMBL5174258 0.73 ALDH1A1 (0.52) CSNK2A1CYP3A4ALDH1A1TSHRTHRB
SCHEMBL7460202 0.73 CSNK2A1 (0.49) CSNK2A1CYP3A4ALDH1A1IMPDH2TSHR
SCHEMBL7453950 0.72 CSNK2A1 (0.40) CSNK2A1CYP3A4ALDH1A1IMPDH2TSHR
Hydrochloric Acid SCHEMBL7453311 0.70 CSNK2A1 (0.42) CSNK2A1CYP3A4ALDH1A1IMPDH2THRB
SCHEMBL1018770 0.69 MAP4K4 (0.42) CSNK2A1CYP3A4ALDH1A1IMPDH2RET
SCHEMBL1383424 0.69 PELI1 (0.54) CSNK2A1CYP3A4ALDH1A1TSHRTHRB
SCHEMBL5795534 0.69 ALDH1A1 (0.43) CSNK2A1CYP3A4ALDH1A1IMPDH2TSHR

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