SCHEMBL7761808

SCHEMBL7761808

Nc1ccc(N=Nc2ccc(N(CCO)CCO)cc2Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.43
MAPT P10636 7/20 0.43
MEN1 O00255 5/20 0.43
TDP1 Q9NUW8 6/20 0.42
RAB9A P51151 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 4/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
MAPK1 P28482 3/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
MMP14 P50281 1/20 0.42
TP53 P04637 2/20 0.42
ATM Q13315 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PSMD14 O00487 2/20 0.38
MITF O75030 1/20 0.38
PKM P14618 2/20 0.37
HTT P42858 2/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL9022512 1.00 KMT2A (0.43) KMT2AMAPTMEN1TDP1RAB9A
SCHEMBL9023308 0.85 KMT2A (0.49) KMT2AMAPTMEN1TDP1RAB9A
SCHEMBL9022928 0.85 KMT2A (0.49) KMT2AMAPTMEN1TDP1RAB9A
SCHEMBL29596363 0.84 MAPT (0.61) KMT2AMAPTMEN1TDP1RAB9A
SCHEMBL107988 0.84 MAPT (0.61) KMT2AMAPTMEN1TDP1RAB9A
SCHEMBL9022499 0.84 KMT2A (0.42) KMT2AMAPTMEN1TDP1RAB9A
SCHEMBL107987 0.84 MAPT (0.61) KMT2AMAPTMEN1TDP1RAB9A
SCHEMBL9023255 0.84 KMT2A (0.42) KMT2AMAPTMEN1TDP1RAB9A
SCHEMBL9021055 0.84 PTGS1 (0.50) KMT2AMAPTMEN1TDP1RAB9A
SCHEMBL9624365 0.83 MAPT (0.43) KMT2AMAPTMEN1TDP1RAB9A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0739622-B1 Hair dye composition WELLA AG (DE) 2001-06-20 EP claimed
US-5637115-A Oxidation hair dye compositions containing developers, couplers, and AZO dyes WELLA AKTIENGESELLSCHAT (DE) 1997-06-10 US claimed
EP-0739622-A1 Hair dye composition Wella Aktiengesellschaft (DE) 1996-10-30 EP claimed
EP-0600045-B1 HAIR DYE WELLA AG (DE) 1996-01-24 EP claimed
US-5409502-A Acid resistance WELLA AKTIENGESELLSCHAFT (DE) 1995-04-25 US claimed
EP-0739622-B1 Hair dye composition WELLA AG (DE) 2001-06-20 EP disclosed
US-5637115-A Oxidation hair dye compositions containing developers, couplers, and AZO dyes WELLA AKTIENGESELLSCHAT (DE) 1997-06-10 US disclosed
EP-0739622-A1 Hair dye composition Wella Aktiengesellschaft (DE) 1996-10-30 EP disclosed
EP-0600045-B1 HAIR DYE WELLA AG (DE) 1996-01-24 EP disclosed
US-5409502-A Acid resistance WELLA AKTIENGESELLSCHAFT (DE) 1995-04-25 US disclosed