SCHEMBL11340948

SCHEMBL11340948

CCCN(CCC)S(=O)(=O)c1cc(C(=O)CCC(=O)NC)ccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.52
KMT2A Q03164 1/20 0.52
CYP1A2 P05177 2/20 0.52
TSHR P16473 2/20 0.52
CYP2C19 P33261 2/20 0.52
CA12 O43570 6/20 0.47
CA9 Q16790 6/20 0.47
CA1 P00915 3/20 0.47
ALDH1A1 P00352 6/20 0.46
MAPK1 P28482 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
LMNA P02545 4/20 0.44
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
HTT P42858 4/20 0.42
TDP1 Q9NUW8 2/20 0.41
MAPT P10636 1/20 0.41
CA2 P00918 1/20 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
SCHEMBL11354188 0.87 SMN1; SMN2 (0.59) SMN1; SMN2KMT2ACYP1A2TSHRCYP2C19
SCHEMBL11347734 0.85 GSTO1 (0.53) SMN1; SMN2KMT2ACYP1A2TSHRCYP2C19
SCHEMBL11596058 0.83 SMN1; SMN2 (0.59) SMN1; SMN2KMT2ACYP1A2TSHRCYP2C19
SCHEMBL5504045 0.82 SMN1; SMN2 (0.63) SMN1; SMN2KMT2ACYP1A2TSHRCYP2C19
SCHEMBL11526842 0.82 SMN1; SMN2 (0.58) SMN1; SMN2KMT2ACYP1A2TSHRCYP2C19
SCHEMBL11343260 0.80 CA1 (0.54) CA12CA9CA1CA2
SCHEMBL11343142 0.80 GSTO1 (0.53) SMN1; SMN2KMT2ACYP1A2TSHRCYP2C19
SCHEMBL11348810 0.80 GSTO1 (0.44) SMN1; SMN2KMT2ACYP1A2TSHRCYP2C19
SCHEMBL11596686 0.80 KMT2A (0.79) SMN1; SMN2KMT2ACYP1A2TSHRCYP2C19
SCHEMBL11595412 0.80 SMN1; SMN2 (0.62) SMN1; SMN2KMT2ACYP1A2TSHRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0001051-B1 DERIVATIVES OF BENZENESULFONAMIDE, METHOD FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1981-02-11 EP claimed
US-4235918-A SALIDIURETICS, TREATMENT OF HYPERTONIC CONDITIONS HOECHST AKTIENGESELLSCHAFT (DE) 1980-11-25 US claimed
EP-0001051-B1 DERIVATIVES OF BENZENESULFONAMIDE, METHOD FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1981-02-11 EP disclosed
US-4235918-A SALIDIURETICS, TREATMENT OF HYPERTONIC CONDITIONS HOECHST AKTIENGESELLSCHAFT (DE) 1980-11-25 US disclosed