SCHEMBL7459377

SCHEMBL7459377

CN(CCO)c1ccc(N)cc1-c1ccoc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.33
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 2/20 0.33
RET P07949 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
HSD17B10 Q99714 3/20 0.32
ALOX15 P16050 2/20 0.32
CYP2C19 P33261 2/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
USP2 O75604 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
CASP1 P29466 1/20 0.30
HTT P42858 1/20 0.30
CASP7 P55210 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
SCHEMBL7456164 0.86 CSNK2A1 (0.35) CSNK2A1ALDH1A1RETMEN1KMT2A
SCHEMBL7461921 0.84 GBA1 (0.35) CSNK2A1ALDH1A1RETMEN1KMT2A
SCHEMBL7459483 0.82 CSNK2A1 (0.31) CSNK2A1RET
SCHEMBL7451974 0.81 RET (0.36) CSNK2A1ALDH1A1RETMEN1KMT2A
SCHEMBL8060773 0.76 ALDH1A1 (0.33) ALDH1A1KDM4EMEN1KMT2AHSD17B10
SCHEMBL7466684 0.76 ALDH1A1 (0.33) ALDH1A1KDM4EMEN1KMT2AHSD17B10
SCHEMBL7805965 0.76 TAAR1 (0.38) ALDH1A1KDM4EMEN1KMT2AHSD17B10
SCHEMBL7460881 0.76 IMPDH2 (0.41) ALDH1A1KDM4EMEN1KMT2AHSD17B10
SCHEMBL7467331 0.76 MAP4K4 (0.34) CSNK2A1ALDH1A1MEN1KMT2AHSD17B10
SCHEMBL7462190 0.75 RET (0.34) CSNK2A1ALDH1A1RETMEN1KMT2A

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