SCHEMBL9820281

SCHEMBL9820281

COc1cc(N)c([N+](=O)[O-])c(NCCO)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 6/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 1/20 0.43
NR1I2 O75469 1/20 0.43
AHR P35869 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
MAPT P10636 9/20 0.43
GAA P10253 2/20 0.43
TDP1 Q9NUW8 2/20 0.40
TSHR P16473 1/20 0.40
POLB P06746 3/20 0.39
RAD52 P43351 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 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
SCHEMBL9820246 0.90 KMT2A (0.48) KMT2AMEN1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL15019155 0.85 MAPT (0.40) KMT2AMEN1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL9820263 0.79 NPC1 (0.45) KMT2AMEN1ALDH1A1SMN1; SMN2GSK3A
SCHEMBL9820261 0.77 MAPT (0.50) KMT2AMEN1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL10581570 0.76 MAPT (0.44) KMT2AMEN1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL9820242 0.76 TDP1 (0.49) KMT2AMEN1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL10580319 0.75 MAPT (0.58) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL10859854 0.73 MAPT (0.56) ALDH1A1NR1I2AHRGSK3AGSK3B
SCHEMBL10861754 0.73 MAPT (0.56) KMT2AMEN1ALDH1A1SMN1; SMN2NR1I2
SCHEMBL30046270 0.73 LMNA (0.54) KMT2AMEN1ALDH1A1SMN1; SMN2KDM4E

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