SCHEMBL9011771

SCHEMBL9011771

Cc1cc(Cl)ccc1[N+]([O-])=S

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
MAPK1 P28482 1/20 0.44
MAPT P10636 2/20 0.39
CYP3A4 P08684 1/20 0.39
NOX1 Q9Y5S8 1/20 0.38
POLB P06746 3/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 2/20 0.36
ALDH1A1 P00352 2/20 0.36
RAPGEF4 Q8WZA2 1/20 0.35
VCAM1 P19320 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PPIA P62937 1/20 0.33

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
SCHEMBL9011808 0.83 CYP3A4 (0.43) TSHRMAPK1MAPTCYP3A4LMNA
SCHEMBL29923752 0.79 TSHR (0.64) TSHRMAPK1MAPTCYP3A4POLB
SCHEMBL20058344 0.79 TSHR (0.44) TSHRMAPK1MAPTCYP3A4NOX1
SCHEMBL359844 0.79 TSHR (0.64) TSHRMAPK1MAPTCYP3A4POLB
SCHEMBL11407184 0.72 ALDH1A1 (0.47) TSHRMAPK1MAPTCYP3A4POLB
SCHEMBL11413957 0.70 G6PD (0.56) TSHRMAPK1MAPTALDH1A1
Nitrobenzene SCHEMBL11647957 0.70 ALDH1A1 (0.52) TSHRMAPK1MAPTPOLBLMNA
SCHEMBL30976988 0.67 TSHR (0.60) TSHRMAPK1MAPTCYP3A4LMNA
SCHEMBL9190531 0.67 TSHR (0.45) TSHRMAPTCYP3A4LMNASMN1; SMN2
SCHEMBL400340 0.67 TSHR (0.60) TSHRMAPK1MAPTCYP3A4LMNA

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