SCHEMBL6999983

SCHEMBL6999983

CCOc1nc(F)cc2nc(S(=O)(=O)Nc3c(F)cccc3F)nn12

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLC40A1 Q9NP59 1/20 0.34
GNRHR P30968 2/20 0.33
POLB P06746 1/20 0.33
KAT6A Q92794 1/20 0.32
WDR5 P61964 1/20 0.32

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
SCHEMBL8848572 0.93 GNRHR (0.34) TSHRKDM4EALDH1A1GNRHR
SCHEMBL8848603 0.90 WDR5 (0.42) ALDH1A1GAAKMT2AWDR5
Diclosulam SCHEMBL116344 0.89 GNRHR (0.35) TSHRALDH1A1SMN1; SMN2GNRHR
SCHEMBL910274 0.88 GAA (0.42) TSHRGAAMAPK1KMT2ASMN1; SMN2
SCHEMBL9176684 0.85 ALDH1A1 (0.38) TSHRKDM4EALDH1A1GAAKMT2A
Diclosulam SCHEMBL407709 0.85 CCR4 (0.33)
SCHEMBL4890265 0.83 WDR5 (0.39) ALDH1A1SMN1; SMN2WDR5
SCHEMBL118467 0.83 WDR5 (0.39) ALDH1A1SMN1; SMN2WDR5
SCHEMBL8111633 0.83 SCN9A (0.35) TSHRKDM4EALDH1A1
SCHEMBL29396759 0.83 WDR5 (0.39) ALDH1A1SMN1; SMN2WDR5

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
EP-1066289-B1 PREPARATION OF N-ARYLARYLSULFONAMIDE COMPOUNDS DOW AGROSCIENCES LLC (US) 2003-11-19 EP disclosed