SCHEMBL6955717

SCHEMBL6955717

N#Cc1nc(Cl)c(-c2ccccc2)n1S(=O)(=O)c1cccs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.44
MAPT P10636 9/20 0.43
POLB P06746 4/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
KDM4E B2RXH2 8/20 0.39
NPSR1 Q6W5P4 5/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 2/20 0.39
KMT2A Q03164 5/20 0.38
PKM P14618 4/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
ALDH1A1 P00352 6/20 0.36
MAPK1 P28482 2/20 0.36
RAB9A P51151 1/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 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
SCHEMBL8309018 0.83 MAPT (0.43) HTTMAPTPOLBCYP3A4CYP2C9
SCHEMBL6954775 0.76 ADORA2A (0.33) HTTMAPTCYP3A4CYP2C9CYP2C19
SCHEMBL8430909 0.75 TSHR (0.49) HTTMAPTPOLBCYP3A4CYP2C9
SCHEMBL6959749 0.71 HTT (0.45) HTTMAPTPOLBCYP2C19KDM4E
SCHEMBL7171446 0.70 HTT (0.48) HTTMAPTPOLBCYP3A4CYP2C9
SCHEMBL9519740 0.65 PTGS2 (0.39) HTTPOLBKDM4ENPSR1SMN1; SMN2
Cyazofamid SCHEMBL16180421 0.64 PTGS2 (0.38) HTTCYP2C9CYP2C19KDM4ESMN1; SMN2
SCHEMBL6966414 0.64 MEN1 (0.39) HTTMAPTNPSR1SMN1; SMN2LMNA
SCHEMBL5718754 0.64 SMN1; SMN2 (0.38) HTTPOLBKDM4ESMN1; SMN2LMNA
SCHEMBL24254265 0.64 POLB (0.54) HTTMAPTPOLBCYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0906311-B1 N-SULFONYLIMIDAZOLES USED AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2003-04-23 EP disclosed
US-6043377-A MICROBICIDES USEFUL IN CROP PROTECTION AND IN THE PROTECTION OF MATERIALS BAYER AKTIENGESELLSCHAFT (DE) 2000-03-28 US disclosed