SCHEMBL3201797

SCHEMBL3201797

Nc1c(N=Nc2ccc([N+](=O)[O-])cc2)ccc2ccc(N=Nc3ccccc3)c(O)c12.[NaH].[NaH]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.50
MAPT P10636 6/20 0.50
KMT2A Q03164 6/20 0.50
ALDH1A1 P00352 4/20 0.50
NPSR1 Q6W5P4 2/20 0.50
HTT P42858 2/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
CYP1A2 P05177 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
MAPK1 P28482 4/20 0.43
RAB9A P51151 3/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
NPC1 O15118 3/20 0.41
HSP90AA1 P07900 1/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL31222686 0.99 MEN1 (0.51) MEN1MAPTKMT2AALDH1A1NPSR1
SCHEMBL3435541 0.99 MEN1 (0.51) MEN1MAPTKMT2AALDH1A1NPSR1
SCHEMBL3434070 0.94 ALDH1A1 (0.56) MEN1MAPTKMT2AALDH1A1NPSR1
SCHEMBL3435582 0.89 MEN1 (0.47) MEN1MAPTKMT2AALDH1A1NPSR1
SCHEMBL3433628 0.88 ALDH1A1 (0.49) MEN1MAPTKMT2AALDH1A1NPSR1
SCHEMBL3435585 0.85 ENPP2 (0.51) MEN1MAPTKMT2AALDH1A1NPSR1
SCHEMBL9798884 0.85 CYP1A2 (0.53) MEN1MAPTKMT2AALDH1A1HTT
SCHEMBL9798894 0.85 CYP1A2 (0.53) MEN1MAPTKMT2AALDH1A1HTT
SCHEMBL3433610 0.85 MEN1 (0.48) MEN1MAPTKMT2AALDH1A1NPSR1
SCHEMBL3435549 0.84 SENP2 (0.51) MEN1MAPTKMT2AALDH1A1NPSR1

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
US-7670391-B2 Dye-containing pellets for coloring keratin fibers WELLA AG (DE) 2010-03-02 US disclosed
US-20090056039-A1 DYE-CONTAINING PELLETS FOR COLORING KERATIN FIBERS HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2009-03-05 US disclosed
US-6379400-B1 DYEING FIBERS, SOLVENT OF WATER OR ALCOHOL AND NITROANILINE DYE WELLA AKTIENGESELLSCHAFT (DE) 2002-04-30 US disclosed