SCHEMBL6316759

SCHEMBL6316759

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
TDP1 Q9NUW8 1/20 0.60
TSHR P16473 4/20 0.53
HPGD P15428 2/20 0.44
KAT2B Q92831 1/20 0.42
ALDH3A1 P30838 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 3/20 0.41
MAPK1 P28482 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 2/20 0.41
TP53 P04637 1/20 0.41
HCAR3 P49019 1/20 0.41
POLB P06746 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL6308309 0.88 ALDH1A1 (0.50) ALDH1A1TDP1TSHRHPGDKAT2B
SCHEMBL2566822 0.83 ALDH1A1 (0.56) ALDH1A1TDP1TSHRHPGDKAT2B
SCHEMBL6310263 0.81 ALDH1A1 (0.43) ALDH1A1TDP1TSHRHPGDKAT2B
SCHEMBL28113776 0.80 ALDH1A1 (0.67) ALDH1A1TDP1TSHRHPGDKAT2B
SCHEMBL10478158 0.80 ALDH3A1 (0.50) ALDH1A1TDP1TSHRHPGDALDH3A1
SCHEMBL20268519 0.80 ALDH1A1 (0.51) ALDH1A1TDP1TSHRHPGDKAT2B
SCHEMBL9009256 0.79 ALDH3A1 (0.42) ALDH1A1TDP1TSHRHPGDALDH3A1
SCHEMBL2056581 0.79 TDP1 (0.64) ALDH1A1TDP1TSHRHPGDKAT2B
SCHEMBL635089 0.77 ALDH1A1 (1.00) ALDH1A1TDP1TSHRHPGDKAT2B
SCHEMBL28521563 0.75 ALDH1A1 (0.95) ALDH1A1TDP1TSHRHPGDKAT2B

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