SCHEMBL4633743

SCHEMBL4633743

O=C1NC(=O)c2ccc(/N=C/c3cc[n+](CCO)cc3)c3cccc1c23

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
PARP1 P09874 2/20 0.40
USP2 O75604 2/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 2/20 0.40
RGS12 O14924 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
THRB P10828 1/20 0.40
CYP2C9 P11712 1/20 0.40
APEX1 P27695 1/20 0.40
CASP1 P29466 1/20 0.40
BRCA1 P38398 1/20 0.40
MTOR P42345 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
CASP7 P55210 1/20 0.40
GNAI1 P63096 1/20 0.40
HBB P68871 1/20 0.40

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
SCHEMBL5711637 1.00 MEN1 (0.40) MEN1KMT2APARP1USP2MAPT
Bromide SCHEMBL3890946 0.99 MEN1 (0.39) MEN1KMT2APARP1USP2MAPT
Bromide SCHEMBL3890949 0.99 MEN1 (0.39) MEN1KMT2APARP1USP2MAPT
Bromide SCHEMBL4534732 0.86 MEN1 (0.41) MEN1KMT2AUSP2MAPTPOLB
Bromide SCHEMBL4532718 0.86 MEN1 (0.41) MEN1KMT2AUSP2MAPTPOLB
SCHEMBL9010771 0.81 MAPT (0.49) MEN1KMT2APARP1USP2MAPT
SCHEMBL3905741 0.78 CISD1 (0.46) MEN1KMT2APARP1USP2MAPT
SCHEMBL3890952 0.78 CISD1 (0.46) MEN1KMT2APARP1USP2MAPT
Bromide SCHEMBL4535352 0.77 KMT2A (0.42) MEN1KMT2AUSP2MAPTPOLB
Bromide SCHEMBL4535340 0.77 KMT2A (0.42) MEN1KMT2AUSP2MAPTPOLB

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-1729723-B1 NEUTRAL AND CATIONIC NAPHTHALENE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS FOR DYEING KERATIN FIBERS WELLA AG (DE) 2008-06-04 EP claimed
EP-1720513-A1 LIGHTENING DIRECT DYESTUFFS FOR KERATIN FIBERS AND DYES CONTAINING SAID COMPOUNDS Wella Aktiengesellschaft (DE) 2006-11-15 EP disclosed
WO-2005074872-A1 LIGHTENING DIRECT DYESTUFFS FOR KERATIN FIBERS AND DYES CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2005-08-18 WO disclosed