SCHEMBL3889419

SCHEMBL3889419

CCc1onc(CCNS(=O)(=O)c2ccc(Cl)cc2)c1I

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.48
TSHR P16473 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TBXA2R P21731 3/20 0.43
ALDH1A1 P00352 4/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
KDM4E B2RXH2 1/20 0.42
PRMT1 Q99873 1/20 0.42
MAPT P10636 3/20 0.41
HTT P42858 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 2/20 0.41

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
SCHEMBL3892614 0.83 S1PR1 (0.46) S1PR1TSHRNPSR1MEN1KMT2A
SCHEMBL3887088 0.81 S1PR1 (0.44) S1PR1TSHRNPSR1MEN1KMT2A
SCHEMBL3889414 0.74 S1PR1 (0.77) S1PR1KMT2ACYP2D6CYP2C19
SCHEMBL3893550 0.73 MAPT (0.53) TSHRNPSR1MEN1KMT2ATBXA2R
SCHEMBL3885557 0.70 MAPT (0.55) TSHRNPSR1MEN1KMT2ATBXA2R
SCHEMBL11883523 0.70 CA1 (0.68) TSHRNPSR1MEN1KMT2ATBXA2R
SCHEMBL9754552 0.68 MEN1 (0.84) TSHRNPSR1MEN1KMT2ATBXA2R
SCHEMBL13296438 0.67 TSHR (0.63) TSHRNPSR1MEN1KMT2AALDH1A1
SCHEMBL66631 0.67 TSHR (0.62) TSHRNPSR1MEN1KMT2ATBXA2R
SCHEMBL7920724 0.67 TSHR (0.67) TSHRNPSR1MEN1KMT2ATBXA2R

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-2013184-A1 SULFONAMIDE COMPOUNDS USEFUL AS EDG RECEPTOR MODULATORS AstraZeneca AB (SE) 2009-01-14 EP disclosed
WO-2007129019-A1 SULFONAMIDE COMPOUNDS USEFUL AS EDG RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2007-11-15 WO disclosed