SCHEMBL6541971

SCHEMBL6541971

S=c1[nH]ncn1-c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.62
ALDH1A1 P00352 5/20 0.62
PKM P14618 1/20 0.62
RAB9A P51151 2/20 0.58
HTT P42858 2/20 0.58
HSD17B10 Q99714 1/20 0.58
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
ALOX15 P16050 1/20 0.46
HPGD P15428 1/20 0.39
GFER P55789 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL9427896 0.84 TDP1 (0.55) TDP1ALDH1A1PKMRAB9AHTT
SCHEMBL5425854 0.83 ALDH1A1 (0.70) TDP1ALDH1A1PKMRAB9AHTT
SCHEMBL21378329 0.82 TDP1 (0.53) TDP1ALDH1A1PKMRAB9AHTT
SCHEMBL9427819 0.80 TDP1 (0.64) TDP1ALDH1A1PKMRAB9AHTT
SCHEMBL9427471 0.80 TDP1 (0.64) TDP1ALDH1A1PKMRAB9AHTT
SCHEMBL3518937 0.77 HTT (0.62) TDP1ALDH1A1PKMRAB9AHTT
SCHEMBL9427559 0.76 TDP1 (0.58) TDP1ALDH1A1PKMRAB9AHTT
SCHEMBL9427552 0.72 ALDH1A1 (0.61) TDP1ALDH1A1PKMRAB9AHTT
SCHEMBL9427526 0.72 ALDH1A1 (0.61) TDP1ALDH1A1PKMRAB9AHTT
SCHEMBL9427611 0.72 TDP1 (0.54) TDP1ALDH1A1PKMRAB9AHTT

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
EP-1455225-A1 Thermally developable emulsions and materials containing heterocyclic disulfide compounds EASTMAN KODAK COMPANY (US) 2004-09-08 EP disclosed
US-6737227-B1 AND ASCORBIC ACID OR REDUCTONE REDUCING AGENTS; THERMOGRAPHIC AND PHOTOTHERMOGRAPHIC; INCREASED IMAGE DENSITY AND SHORTENED DEVELOPMENT TIME, DEVELOPMENT AT LOWER TEMPERATURES EASTMAN KODAK COMPANY 2004-05-18 US disclosed
EP-1321806-A2 Imaging element containing a blocked photographically useful compound activated by azolesulfonyl-assisted 1,2-elimination EASTMAN KODAK COMPANY (US) 2003-06-25 EP disclosed
US-6558890-B1 Imaging element containing a blocked photographically useful compound such as a developing agent, which compound becomes active upon heating as a result of 1,2 elimination made possible by the presence of an azolesulfonyl group EASTMAN KODAK COMPANY 2003-05-06 US disclosed