SCHEMBL7461069

SCHEMBL7461069

CN(CCO)c1ccc(N)c(-c2cc[nH]c2)c1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.34
STK4 Q13043 1/20 0.32
STK3 Q13188 1/20 0.32
LRRK2 Q5S007 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
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP19A1 P11511 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL7466832 0.86 KMT2A (0.33) L3MBTL1MAPT
SCHEMBL7457113 0.84 CYP3A4 (0.34) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL7456345 0.82
SCHEMBL6573339 0.81 L3MBTL1 (0.43) MAP4K4STK4STK3LRRK2L3MBTL1
SCHEMBL7461521 0.81 ALDH1A1 (0.41) APPMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL7462735 0.78 MAP4K4 (0.34) MAP4K4L3MBTL1APPMAPTADORA2A
SCHEMBL7466684 0.76 ALDH1A1 (0.33) STK4STK3LRRK2MAPT
SCHEMBL7456317 0.76 KCNH2 (0.40) MAP4K4L3MBTL1MAPT
SCHEMBL7807476 0.76 MAP4K4 (0.37) MAP4K4STK4STK3LRRK2L3MBTL1
SCHEMBL7467331 0.76 MAP4K4 (0.34) MAP4K4L3MBTL1APPMAPTADORA2A

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