SCHEMBL9011808

SCHEMBL9011808

Cc1ccc(Cl)cc1[N+]([O-])=S

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.43
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 2/20 0.39
MAPK1 P28482 1/20 0.39
RAPGEF4 Q8WZA2 1/20 0.39
VCAM1 P19320 1/20 0.38
CCR2 P41597 3/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.37
RECQL P46063 1/20 0.37
PPIA P62937 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MCL1 Q07820 1/20 0.36
HSP90AA1 P07900 1/20 0.36
PDE7A Q13946 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL9011771 0.83 TSHR (0.44) CYP3A4MAPTGAATSHRMAPK1
SCHEMBL400340 0.79 TSHR (0.60) CYP3A4MAPTGAATSHRMAPK1
SCHEMBL30976988 0.79 TSHR (0.60) CYP3A4MAPTGAATSHRMAPK1
Methyl Alcohol SCHEMBL28263562 0.76 TSHR (0.56) CYP3A4MAPTGAATSHRMAPK1
SCHEMBL11416964 0.70 G6PD (0.56) CYP3A4MAPTTSHRALDH1A1RECQL
SCHEMBL5700792 0.69 HSD17B10 (0.60) MAPTTSHRALDH1A1TDP1L3MBTL1
SCHEMBL20058344 0.67 TSHR (0.44) CYP3A4MAPTTSHRMAPK1VCAM1
SCHEMBL9190531 0.67 TSHR (0.45) CYP3A4MAPTGAATSHRVCAM1
SCHEMBL359844 0.67 TSHR (0.64) CYP3A4MAPTTSHRMAPK1VCAM1
SCHEMBL29923752 0.67 TSHR (0.64) CYP3A4MAPTTSHRMAPK1VCAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0394943-B1 Silver halide color photographic material FUJI PHOTO FILM CO LTD (JP) 1996-11-20 EP disclosed
US-5066577-A Colorfast cyan dye for diffusion transfer photography process FUJI PHOTO FILM CO., LTD. (JP) 1991-11-19 US disclosed
EP-0394943-A2 Silver halide color photographic material FUJI PHOTO FILM CO., LTD. (JP) 1990-10-31 EP disclosed