SCHEMBL6310263

SCHEMBL6310263

CCN(CCNS(C)(=O)=O)c1cccc(C)c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
TDP1 Q9NUW8 1/20 0.43
TSHR P16473 1/20 0.39
KAT2B Q92831 1/20 0.38
HPGD P15428 2/20 0.37
POLB P06746 2/20 0.37
PKM P14618 2/20 0.36
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NR3C1 P04150 1/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL10381631 0.82 POLB (0.41) ALDH1A1POLBPKMNR3C1
SCHEMBL6316759 0.81 ALDH1A1 (0.60) ALDH1A1TDP1TSHRKAT2BHPGD
SCHEMBL8746609 0.80 ALDH1A1 (0.36) ALDH1A1POLBPKMNR3C1
SCHEMBL6308309 0.79 ALDH1A1 (0.50) ALDH1A1TDP1TSHRKAT2BHPGD
Sulfuric Acid SCHEMBL7553547 0.78 POLB (0.38) ALDH1A1TSHRPOLBPKMNR3C1
Sulfuric Acid SCHEMBL6006308 0.77 ALDH1A1 (0.34) ALDH1A1POLBNR3C1
Sulfuric Acid SCHEMBL6705370 0.76 NR3C1 (0.34) ALDH1A1POLBNR3C1
SCHEMBL15894608 0.72 POLB (0.40) ALDH1A1TSHRHPGDPOLBNR3C1
SCHEMBL2566822 0.70 ALDH1A1 (0.56) ALDH1A1TDP1TSHRKAT2BHPGD
SCHEMBL6262327 0.69 L3MBTL1 (0.40) ALDH1A1TDP1TSHRMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050037294-A1 Stabilized p-phenylenediamine-type photographic color developers in free base form HUDNALL PHILLIP MONTGOMERY (US) 2005-02-17 US claimed
EP-1327181-A2 STABILIZED p-PHENYLENEDIAMINE-TYPE PHOTOGRAPHIC COLOR DEVELOPERS IN FREE BASE FORM EASTMAN CHEMICAL COMPANY (US) 2003-07-16 EP claimed
US-20020072017-A1 Stabilized p-phenylenediamine-type photographic color developers in free base form EASTMAN CHEMICAL COMPANY 2002-06-13 US claimed
WO-2002033486-A2 STABILIZED p-PHENYLENEDIAMINE-TYPE PHOTOGRAPHIC COLOR DEVELOPERS IN FREE BASE FORM EASTMAN CHEMICAL COMPANY (US) 2002-04-25 WO claimed