SCHEMBL9516451

SCHEMBL9516451

N#Cc1ccc(NCCOCCO)c([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.61
MAPT P10636 9/20 0.57
KMT2A Q03164 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
LMNA P02545 2/20 0.55
PKM P14618 2/20 0.55
RAB9A P51151 5/20 0.48
HCAR3 P49019 2/20 0.46
ALDH1A1 P00352 2/20 0.45
TSHR P16473 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
VCAM1 P19320 1/20 0.45
NPC1 O15118 2/20 0.43
PTGER4 P35408 1/20 0.43

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
SCHEMBL29519350 0.87 KAT2B (0.70) KAT2BMAPTKMT2ALMNAPKM
SCHEMBL112161 0.87 KAT2B (0.70) KAT2BMAPTKMT2ALMNAPKM
SCHEMBL20419963 0.87 KAT2B (0.70) KAT2BMAPTKMT2ASMN1; SMN2LMNA
SCHEMBL20419976 0.87 KAT2B (0.60) KAT2BMAPTKMT2ASMN1; SMN2LMNA
SCHEMBL22126311 0.85 KAT2B (0.56) KAT2BMAPTKMT2ASMN1; SMN2LMNA
SCHEMBL6218547 0.85 KAT2B (0.74) KAT2BMAPTKMT2ALMNAPKM
SCHEMBL26913572 0.84 KAT2B (0.65) KAT2BMAPTKMT2ASMN1; SMN2LMNA
SCHEMBL6214461 0.84 KAT2B (0.73) KAT2BMAPTKMT2ASMN1; SMN2LMNA
SCHEMBL6220073 0.82 KAT2B (0.71) KAT2BMAPTKMT2ASMN1; SMN2LMNA
SCHEMBL29868082 0.82 KMT2A (0.71) MAPTKMT2ASMN1; SMN2LMNAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0391662-B1 Nitroaniline dyes with a cyano substituent group BRISTOL MYERS SQUIBB CO (US) 1993-10-27 EP claimed
US-5024673-A Colorfast direct yellow hair dye CLAIROL INCORPORATED (US) 1991-06-18 US claimed
US-4980158-A HAIR DYES; PHOTOSTABILITY, WASHFASTNESS CLAIROL INCORPORATED (US) 1990-12-25 US claimed
EP-0391662-A1 Nitroaniline dyes with a cyano substituent group Bristol-Myers Squibb Company (US) 1990-10-10 EP claimed
EP-0391662-B1 Nitroaniline dyes with a cyano substituent group BRISTOL MYERS SQUIBB CO (US) 1993-10-27 EP disclosed
US-5024673-A Colorfast direct yellow hair dye CLAIROL INCORPORATED (US) 1991-06-18 US disclosed
US-4980158-A HAIR DYES; PHOTOSTABILITY, WASHFASTNESS CLAIROL INCORPORATED (US) 1990-12-25 US disclosed
EP-0391662-A1 Nitroaniline dyes with a cyano substituent group Bristol-Myers Squibb Company (US) 1990-10-10 EP disclosed