SCHEMBL5700792

SCHEMBL5700792

Cc1ccccc1[N+]([O-])=S

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.60
TSHR P16473 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 5/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ACHE P22303 2/20 0.43
PKM P14618 1/20 0.43
TDP1 Q9NUW8 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
CA1 P00915 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
SCHEMBL18185042 0.81 TSHR (0.63) HSD17B10TSHRSMN1; SMN2ALDH1A1MAPT
SCHEMBL11227424 0.75 HSD17B10 (0.60) HSD17B10TSHRSMN1; SMN2ALDH1A1MAPT
SCHEMBL29859415 0.75 HSD17B10 (1.00) HSD17B10TSHRSMN1; SMN2ALDH1A1MAPT
SCHEMBL1755243 0.75 HSD17B10 (0.60) HSD17B10TSHRSMN1; SMN2ALDH1A1MAPT
SCHEMBL26788 0.75 HSD17B10 (1.00) HSD17B10TSHRSMN1; SMN2ALDH1A1MAPT
SCHEMBL28553719 0.75 HSD17B10 (0.60) HSD17B10TSHRSMN1; SMN2ALDH1A1MAPT
SCHEMBL8044778 0.73 HSD17B10 (0.95) HSD17B10TSHRSMN1; SMN2ALDH1A1MAPT
SCHEMBL11125458 0.73 HSD17B10 (0.95) HSD17B10TSHRSMN1; SMN2ALDH1A1MAPT
SCHEMBL8044782 0.73 HSD17B10 (0.95) HSD17B10TSHRSMN1; SMN2ALDH1A1MAPT
Ammonia Solution, Strong SCHEMBL9579917 0.73 HSD17B10 (0.95) HSD17B10TSHRSMN1; SMN2ALDH1A1MAPT

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-1027328-B1 SUBSTITUTED ANILIDES AVENTIS PHARMA LTD (GB) 2006-08-23 EP disclosed
US-6479519-B1 INHIBITORS OF CELL ADHESION; TREATMENT OF ASTHMA OR INFLAMMATORY BOWEL DISEASE AVENTIS PHARMA LIMITED (GB) 2002-11-12 US disclosed
EP-1027328-A1 SUBSTITUTED ANILIDES Aventis Pharma Limited (GB) 2000-08-16 EP disclosed
WO-1999023063-A1 SUBSTITUTED ANILIDES AVENTIS PHARMA LIMITED (GB) 1999-05-14 WO disclosed