SCHEMBL9502563

SCHEMBL9502563

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.56
VCAM1 P19320 3/20 0.52
ALDH1A1 P00352 4/20 0.51
MAPT P10636 4/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
HCAR3 P49019 1/20 0.49
KDM4E B2RXH2 1/20 0.48
HTT P42858 2/20 0.47
GAA P10253 1/20 0.47
PTGER4 P35408 1/20 0.45
RAB9A P51151 1/20 0.45
P2RX1 P51575 1/20 0.45
EGFR P00533 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RECQL P46063 1/20 0.44

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
SCHEMBL9499751 0.83 LMNA (0.56) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL8335461 0.81 MEN1 (0.54) LMNAVCAM1ALDH1A1MAPTMEN1
SCHEMBL20714769 0.81 MAPT (0.50) LMNAVCAM1ALDH1A1MAPTMEN1
SCHEMBL12289538 0.80 MAPT (0.66) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL26598921 0.80 LMNA (0.52) LMNAVCAM1ALDH1A1MAPTMEN1
SCHEMBL9776299 0.79 HCAR3 (0.64) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL11875109 0.78 MEN1 (0.51) LMNAVCAM1ALDH1A1MAPTMEN1
SCHEMBL30007928 0.77 VCAM1 (0.69) LMNAVCAM1ALDH1A1MAPTMEN1
SCHEMBL22382437 0.77 ALDH1A1 (0.70) LMNAVCAM1ALDH1A1MAPTMEN1
Hydrochloric Acid SCHEMBL11879055 0.77 MEN1 (0.50) LMNAVCAM1ALDH1A1MAPTMEN1

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