SCHEMBL9499751

SCHEMBL9499751

COCCNc1ccc(OC)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.56
ALDH1A1 P00352 9/20 0.55
MAPT P10636 6/20 0.54
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
GAA P10253 3/20 0.52
MAPK1 P28482 2/20 0.52
KDM4E B2RXH2 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
POLB P06746 2/20 0.52
CYP3A4 P08684 1/20 0.49
TSHR P16473 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HCAR3 P49019 1/20 0.49
PKM P14618 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47

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
SCHEMBL3322371 0.86 ALDH1A1 (0.59) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL4655115 0.83 ALDH1A1 (0.56) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL9502563 0.83 LMNA (0.56) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL14110955 0.82 ALDH1A1 (0.61) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL13832433 0.81 ALDH1A1 (0.51) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL12289538 0.80 MAPT (0.66) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL26598921 0.80 LMNA (0.52) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL9776299 0.79 HCAR3 (0.64) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL12643251 0.79 ALDH1A1 (0.59) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL4761972 0.78 ALDH1A1 (0.56) LMNAALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0414585-B1 KERATINOUS FIBRES DYE COMPOSITION CONTAINING AN INDOLE DYE AND AT LEAST A PARAPHENYLENEDIAMINE HAVING A SECONDARY AMINO GROUP AND PROCESS L'OREAL (FR) 1993-04-21 EP disclosed
EP-0414585-A1 Keratinous fibres dye composition containing an indole dye and at least a paraphenylenediamine having a secondary amino group and process L'OREAL (FR) 1991-02-27 EP disclosed