SCHEMBL10678902

SCHEMBL10678902

O=C1CN(S(=O)(=O)c2cccc3c(Br)cccc23)C(=S)N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
MAPK10 P53779 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
PARP1 P09874 2/20 0.35
ALDH1A1 P00352 4/20 0.35
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 5/20 0.34
MEN1 O00255 4/20 0.34
TP53 P04637 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
NFKB1 P19838 2/20 0.34
MAPK1 P28482 2/20 0.34
MYLK Q15746 2/20 0.34
CYP2C9 P11712 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL10681934 0.92 RXFP1 (0.48) SMN1; SMN2NPSR1MAPK10RXFP1ALDH1A1
SCHEMBL10677381 0.88 SMN1; SMN2 (0.44) SMN1; SMN2NPSR1MAPK10RXFP1PARP1
SCHEMBL10678618 0.86 SMN1; SMN2 (0.43) SMN1; SMN2NPSR1MAPK10RXFP1PARP1
SCHEMBL10678626 0.86 SMN1; SMN2 (0.43) SMN1; SMN2NPSR1MAPK10RXFP1PARP1
SCHEMBL10672409 0.84 KMT2A (0.51) SMN1; SMN2NPSR1ALDH1A1MAPTPOLB
SCHEMBL10680767 0.84 CYP3A4 (0.50) SMN1; SMN2NPSR1PARP1ALDH1A1MAPT
SCHEMBL10676845 0.84 MEN1 (0.51) SMN1; SMN2ALDH1A1MAPTPOLBKMT2A
SCHEMBL10680922 0.81 KMT2A (0.57) KMT2ACYP1A2ATMCYP2C19CA1
SCHEMBL10677678 0.80 MEN1 (0.36) SMN1; SMN2ALDH1A1MAPTPOLBKMT2A
SCHEMBL10680214 0.80 MEN1 (0.36) SMN1; SMN2NPSR1ALDH1A1MAPTPOLB

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-4743611-A TREATMENT OF DIABETIC COMPLICATIONS AMERICAN HOME PRODUCTS CORP. (US) 1988-05-10 US claimed
EP-0251784-A2 Naphthalenylsulfonylimidazolidinediones and their thioxo analogs AMERICAN HOME PRODUCTS CORPORATION (US) 1988-01-07 EP claimed
US-4743611-A TREATMENT OF DIABETIC COMPLICATIONS AMERICAN HOME PRODUCTS CORP. (US) 1988-05-10 US disclosed
EP-0251784-A2 Naphthalenylsulfonylimidazolidinediones and their thioxo analogs AMERICAN HOME PRODUCTS CORPORATION (US) 1988-01-07 EP disclosed