SCHEMBL10478145

SCHEMBL10478145

CC1=C(C(=O)O)C(c2ccccc2[N+](=O)[O-])C2=C(CCCC2=O)N1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.58
ALDH1A1 P00352 7/20 0.50
HSD17B10 Q99714 5/20 0.50
KDM4E B2RXH2 5/20 0.50
HPGD P15428 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPT P10636 3/20 0.50
CACNA1B Q00975 2/20 0.50
LMNA P02545 2/20 0.50
ABCC4 O15439 1/20 0.50
PLIN1 O60240 1/20 0.50
CACNA1F O60840 1/20 0.50
GMNN O75496 1/20 0.50
KCNK2 O95069 1/20 0.50
ABCB11 O95342 1/20 0.50
GSR P00390 1/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50

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
SCHEMBL10704884 0.87 KDM4E (0.62) TDP1ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL7817103 0.86 TDP1 (0.71) TDP1ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL5197527 0.84 FFAR3 (0.60) ALDH1A1HSD17B10KDM4EHPGDSMN1; SMN2
SCHEMBL29693490 0.84 SMN1; SMN2 (0.57) TDP1ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL3263495 0.84 ALDH1A1 (0.54) TDP1ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL5238694 0.81 GPR174 (0.57) ALDH1A1HSD17B10KDM4EHPGDSMN1; SMN2
SCHEMBL11687992 0.80 TDP1 (0.53) TDP1ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL612520 0.80 CACNA1C (0.73) TDP1ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL4608748 0.80 CACNA1C (0.73) TDP1ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL5227900 0.79 MEN1 (0.53) ALDH1A1HSD17B10KDM4EHPGDKMT2A

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-4859551-A Process for preparing positive and negative images using photohardenable electrostatic master E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-08-22 US disclosed
EP-0315121-A2 Process for preparing positive and negative images using photohardenable electrostatic master E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-05-10 EP disclosed
US-4269933-A PHOTOLITHOGRAPHY; POSITIVE AND NEGATIVE IMAGES; POLYMERIZATION OF A UNSATURATED POLYESTER USING A PHOTOSENSITIVE FREE RADICAL SYSTEM E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-05-26 US disclosed
US-4198242-A Photopolymerizable composition containing an o-nitroaromatic compound as photoinhibitor E. I. DU PONT DE NEMOURS AND COMPANY (US) 1980-04-15 US disclosed