SCHEMBL9517671

SCHEMBL9517671

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

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.57
MAPT P10636 6/20 0.51
PKM P14618 2/20 0.51
GLA P06280 1/20 0.51
LMNA P02545 1/20 0.51
KMT2A Q03164 2/20 0.48
VCAM1 P19320 2/20 0.47
RAB9A P51151 2/20 0.44
MERTK Q12866 1/20 0.41
LRRK2 Q5S007 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
HCAR3 P49019 1/20 0.39
MAPK1 P28482 1/20 0.38
EGLN2 Q96KS0 1/20 0.38

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
SCHEMBL10896768 0.84 MAPT (0.45) MAPTPKMGLALMNAKMT2A
SCHEMBL112161 0.81 KAT2B (0.70) KAT2BMAPTPKMLMNAKMT2A
SCHEMBL29519350 0.81 KAT2B (0.70) KAT2BMAPTPKMLMNAKMT2A
SCHEMBL8655505 0.80 KAT2B (0.56) KAT2BMAPTLMNAKMT2ARAB9A
SCHEMBL1889528 0.80 PKM (0.45) MAPTPKMGLAKMT2ARAB9A
SCHEMBL1741987 0.80 ALDH1A1 (0.54) MAPTPKMLMNAKMT2ATDP1
SCHEMBL7182851 0.80 KAT2B (0.54) KAT2BMAPTPKMLMNAKMT2A
SCHEMBL6218547 0.79 KAT2B (0.74) KAT2BMAPTPKMLMNAKMT2A
SCHEMBL2080430 0.78 KAT2B (0.65) KAT2BMAPTPKMLMNAKMT2A
SCHEMBL7719476 0.78 TDP1 (0.42) KAT2BMAPTPKMGLAKMT2A

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