SCHEMBL7467331

SCHEMBL7467331

CN(CCO)c1ccc(N)c(-c2ccoc2)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.34
CSNK2A1 P68400 1/20 0.33
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
ALOX15 P16050 2/20 0.32
CYP2C19 P33261 2/20 0.32
KMT2A Q03164 2/20 0.32
HSD17B10 Q99714 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
HDAC2 Q92769 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
APP P05067 1/20 0.31
MAPT P10636 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
HIF1A Q16665 1/20 0.30
CLK4 Q9HAZ1 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
SCHEMBL7460414 0.86 CSNK2A1 (0.35) CSNK2A1MEN1ALDH1A1KMT2ALMNA
SCHEMBL7458537 0.84 GBA1 (0.35) CSNK2A1MEN1ALDH1A1ALOX15CYP2C19
SCHEMBL7454359 0.82 CETP (0.31) CSNK2A1
SCHEMBL6573339 0.81 L3MBTL1 (0.43) MAP4K4ALDH1A1CYP2C19HSD17B10CYP1A2
SCHEMBL7461363 0.81 CSNK2A1 (0.36) CSNK2A1MEN1ALDH1A1ALOX15CYP2C19
SCHEMBL7456317 0.76 KCNH2 (0.40) MAP4K4MEN1ALDH1A1ALOX15KMT2A
SCHEMBL7812056 0.76 CFTR (0.39) MAP4K4MEN1ALDH1A1ALOX15KMT2A
SCHEMBL7462735 0.76 MAP4K4 (0.34) MAP4K4L3MBTL1APPMAPTADORA2A
SCHEMBL7459377 0.76 CSNK2A1 (0.33) CSNK2A1MEN1ALDH1A1ALOX15CYP2C19
SCHEMBL7461069 0.76 MAP4K4 (0.34) MAP4K4CYP2C19CYP1A2CYP3A4CYP2D6

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