SCHEMBL8624231

SCHEMBL8624231

Cc1cccc(S(=O)(=O)c2ccc(C(=N)N)nc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C1S P09871 2/20 0.41
PKM P14618 1/20 0.41
NAMPT P43490 5/20 0.40
ABCC9 O60706 1/20 0.39
ABCC8 Q09428 1/20 0.39
KCNJ11 Q14654 1/20 0.39
KCNJ8 Q15842 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
GRM4 Q14833 1/20 0.38
AKR1C3 P42330 1/20 0.37
HTR2A P28223 1/20 0.37
ALKBH2 Q6NS38 1/20 0.37
ALKBH3 Q96Q83 1/20 0.37
FTO Q9C0B1 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTR6 P50406 1/20 0.37
ALDH1A1 P00352 2/20 0.36

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
SCHEMBL8558495 0.79 ABCC9 (0.46) C1SNAMPTABCC9ABCC8KCNJ11
SCHEMBL8163851 0.75 CYP11B1 (0.43) C1SPKMKMT2AMEN1GRM4
SCHEMBL30628608 0.75 PRMT1 (0.40)
SCHEMBL29468572 0.73 KMT2A (0.59) PKMABCC9ABCC8KCNJ11KCNJ8
SCHEMBL822302 0.73 KMT2A (0.59) PKMABCC9ABCC8KCNJ11KCNJ8
SCHEMBL15531384 0.72 NAMPT (0.51) NAMPTALDH1A1SMN1; SMN2
SCHEMBL15607666 0.72 KMT2A (0.57) PKMABCC9ABCC8KCNJ11KCNJ8
Hydrochloric Acid SCHEMBL11279258 0.72 KMT2A (0.57) PKMABCC9ABCC8KCNJ11KCNJ8
SCHEMBL16820411 0.71 HTR2A (0.55) NAMPTABCC9ABCC8KCNJ11KCNJ8
SCHEMBL15530698 0.71 NAMPT (0.51) NAMPTABCC9ABCC8KCNJ11KCNJ8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5849736-A Isoxazoline and isoxazole fibrinogen receptor antagonists THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-12-15 US disclosed