SCHEMBL7466832

SCHEMBL7466832

Nc1ccc(N(CCO)CCO)cc1-c1cc[nH]c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.33
MAPT P10636 3/20 0.33
MEN1 O00255 2/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
S100B P04271 1/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
HTT P42858 1/20 0.31
MCL1 Q07820 1/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.31
MMP14 P50281 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
SCHEMBL7461069 0.86 MAP4K4 (0.34) MAPTL3MBTL1
SCHEMBL7462136 0.82 CYP1A2 (0.35) S100B
SCHEMBL7458395 0.81
SCHEMBL6571892 0.80 MAPT (0.37) KMT2AMAPTMEN1LMNASMN1; SMN2
SCHEMBL6571445 0.80 KMT2A (0.43) KMT2AMAPTMEN1LMNASMN1; SMN2
SCHEMBL7465818 0.80 KMT2A (0.36) KMT2AMAPTMEN1LMNASMN1; SMN2
SCHEMBL7455482 0.80 MAPT (0.34) KMT2AMAPTMEN1LMNASMN1; SMN2
SCHEMBL6574636 0.79 KMT2A (0.42) KMT2AMAPTMEN1LMNASMN1; SMN2
SCHEMBL6572291 0.79 KMT2A (0.36) KMT2AMAPTMEN1LMNASMN1; SMN2
SCHEMBL6572200 0.79 USP7 (0.40) KMT2AMAPTMEN1LMNASMN1; SMN2

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