SCHEMBL9820239

SCHEMBL9820239

NCCNc1cc(NCCO)c([N+](=O)[O-])c(NCCO)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.45
GAA P10253 2/20 0.45
GLA P06280 1/20 0.45
HTR6 P50406 1/20 0.44
ALDH1A1 P00352 6/20 0.44
TSHR P16473 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
POLB P06746 3/20 0.44
KMT2A Q03164 3/20 0.43
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
BCL6 P41182 1/20 0.40
BCOR Q6W2J9 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
KAT2B Q92831 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL9820286 0.92 ALDH1A1 (0.49) MAPTGAAALDH1A1TSHRTDP1
SCHEMBL9820257 0.83 BCL6 (0.53) MAPTGAAALDH1A1TSHRTDP1
SCHEMBL7095920 0.78 ALDH1A1 (0.60) MAPTGAAGLAHTR6ALDH1A1
SCHEMBL10579602 0.78 POLB (0.39) MAPTGAAALDH1A1TSHRTDP1
SCHEMBL9771617 0.78 MAPT (0.47) MAPTGAAALDH1A1TSHRTDP1
SCHEMBL10480294 0.78 ALDH1A1 (0.46) MAPTGAAGLAHTR6ALDH1A1
SCHEMBL9687117 0.76 RAB9A (0.47) MAPTGAAALDH1A1TSHRTDP1
SCHEMBL9820246 0.74 KMT2A (0.48) MAPTGAAALDH1A1TSHRTDP1
SCHEMBL9771587 0.74 KAT2B (0.63) MAPTGAAGLAHTR6ALDH1A1
SCHEMBL4619073 0.74 KAT2B (0.51) MAPTGAAGLAALDH1A1TSHR

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