SCHEMBL30199798

SCHEMBL30199798

COc1ccc(NC(=O)c2ncco2)cc1S(=O)(=O)Nc1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
HTT P42858 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
GAA P10253 2/20 0.52
MAPT P10636 2/20 0.52
IDH1 O75874 6/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
HPGD P15428 1/20 0.51
ALPL P05186 5/20 0.49
ALDH1A1 P00352 1/20 0.49
ALOX12 P18054 1/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
TNF P01375 1/20 0.48
NOD2 Q9HC29 1/20 0.48
NOD1 Q9Y239 1/20 0.48

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
SCHEMBL23833728 1.00 LMNA (0.53) LMNAMEN1KMT2AHTTNPSR1
SCHEMBL23846545 0.91 HDAC1 (0.56) LMNAMEN1KMT2AHTTGAA
SCHEMBL23846438 0.90 KMT2A (0.62) LMNAMEN1KMT2AHTTGAA
SCHEMBL23846635 0.89 LMNA (0.50) LMNAMEN1KMT2AHTTGAA
SCHEMBL30199534 0.89 LMNA (0.52) LMNAMEN1KMT2AHTTNPSR1
SCHEMBL23833764 0.89 LMNA (0.52) LMNAMEN1KMT2AHTTNPSR1
SCHEMBL25758942 0.83 LMNA (0.59) LMNAMEN1KMT2AHTTNPSR1
SCHEMBL23846650 0.81 LMNA (0.54) LMNAMEN1KMT2AHTTNPSR1
SCHEMBL23846582 0.80 LMNA (0.56) LMNAMEN1KMT2AHTTNPSR1
SCHEMBL23846316 0.80 LMNA (0.58) LMNAMEN1KMT2AHTTNPSR1

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-4121029-A1 BENZENESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF Amathus Therapeutics, Inc. (US) 2023-01-25 EP disclosed