SCHEMBL9820286

SCHEMBL9820286

O=[N+]([O-])c1c(NCCO)cc(NCCO)cc1NCCO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
TSHR P16473 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
MAPT P10636 10/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
BCL6 P41182 1/20 0.43
BCOR Q6W2J9 1/20 0.43
MEN1 O00255 1/20 0.43
RAB9A P51151 1/20 0.42
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
MCL1 Q07820 1/20 0.41
PKM P14618 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 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
SCHEMBL9820239 0.92 MAPT (0.45) ALDH1A1TSHRTDP1MAPTGAA
SCHEMBL9820257 0.90 BCL6 (0.53) ALDH1A1TSHRTDP1MAPTGAA
SCHEMBL9771617 0.84 MAPT (0.47) ALDH1A1TSHRTDP1MAPTGAA
SCHEMBL9820246 0.80 KMT2A (0.48) ALDH1A1TSHRTDP1MAPTGAA
SCHEMBL4619073 0.80 KAT2B (0.51) ALDH1A1TSHRTDP1MAPTGAA
SCHEMBL9820294 0.79 MAPT (0.47) ALDH1A1TSHRTDP1MAPTGAA
SCHEMBL9687117 0.79 RAB9A (0.47) ALDH1A1TSHRTDP1MAPTGAA
Hydrochloric Acid SCHEMBL5063788 0.79 KAT2B (0.54) ALDH1A1TSHRTDP1MAPTGAA
SCHEMBL2467753 0.78 ALDH1A1 (0.56) ALDH1A1TSHRTDP1MAPTGAA
SCHEMBL5922524 0.78 KMT2A (0.50) ALDH1A1TSHRTDP1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0303826-B1 SUBSTITUTED 2-NITRO METAPHENYLENE DIAMINES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN DYEING KERATINOUS FIBRES AND ESPECIALLY HUMAN HAIR L'OREAL (FR) 1991-02-27 EP claimed
US-4863482-A FROM A TRIHALONITROBENZENE L'OREAL (FR) 1989-09-05 US claimed
EP-0303826-A1 Substituted 2-nitro metaphenylene diamines, process for their preparation and their use in dyeing keratinous fibres and especially human hair L'OREAL (FR) 1989-02-22 EP claimed
EP-0303826-B1 SUBSTITUTED 2-NITRO METAPHENYLENE DIAMINES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN DYEING KERATINOUS FIBRES AND ESPECIALLY HUMAN HAIR L'OREAL (FR) 1991-02-27 EP disclosed
US-4863482-A FROM A TRIHALONITROBENZENE L'OREAL (FR) 1989-09-05 US disclosed
EP-0303826-A1 Substituted 2-nitro metaphenylene diamines, process for their preparation and their use in dyeing keratinous fibres and especially human hair L'OREAL (FR) 1989-02-22 EP disclosed