SCHEMBL7834044

SCHEMBL7834044

Cc1cc(C)cc(NS(=O)(=O)c2ccc(N)cc2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.72
KMT2A Q03164 2/20 0.62
CA1 P00915 2/20 0.61
CA2 P00918 2/20 0.61
HTT P42858 1/20 0.61
CA9 Q16790 1/20 0.61
CDC7 O00311 1/20 0.59
EEF2K O00418 1/20 0.59
PLK4 O00444 1/20 0.59
AURKA O14965 1/20 0.59
DYRK3 O43781 1/20 0.59
RPS6KA5 O75582 1/20 0.59
PRKD3 O94806 1/20 0.59
MAP4K4 O95819 1/20 0.59
PIM1 P11309 1/20 0.59
PHKG2 P15735 1/20 0.59
CDK2 P24941 1/20 0.59
AKT1 P31749 1/20 0.59
AKT2 P31751 1/20 0.59
MAPK8 P45983 1/20 0.59

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
SCHEMBL18870862 0.89 FFAR4 (0.67) HTR6KMT2ACA1CA2HTT
SCHEMBL2240551 0.86 HTR6 (0.73) HTR6KMT2ACA1CA2HTT
SCHEMBL1417537 0.85 CA1 (0.71) HTR6KMT2ACA1CA2HTT
SCHEMBL2240008 0.85 CA1 (0.71) HTR6KMT2ACA1CA2HTT
SCHEMBL7836889 0.85 HTR6 (0.71) HTR6KMT2ACA1CA2HTT
SCHEMBL14838614 0.84 FFAR4 (0.70) KMT2ACA1CA2ALDH1A1CYP3A4
SCHEMBL3272443 0.84 FFAR4 (0.70) ALDH1A1MAPTTDP1LMNA
SCHEMBL7838817 0.84 HTR6 (1.00) HTR6KMT2ACA1CA2HTT
Hydrochloric Acid SCHEMBL8043483 0.82 HTR6 (0.97) HTR6KMT2ACA1CA2HTT
SCHEMBL14414968 0.82 LMNA (0.61) KMT2ACA1CA2CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1902840-B1 Planographic printing plate precursor FUJIFILM CORP (JP) 2011-07-06 EP disclosed
WO-2011022393-A2 PHOSPHATIDYLCHOLINE TRANSFER PROTEIN INHIBITORS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2011-02-24 WO disclosed
EP-1902840-A2 Planographic printing plate precursor FUJIFILM Corporation (JP) 2008-03-26 EP disclosed
US-7198877-B2 Heat-sensitive lithographic printing plate precursor AGFA-GEVAERT (BE) 2007-04-03 US disclosed
US-7198877-B2 Heat-sensitive lithographic printing plate precursor AGFA-GEVAERT (BE) 2007-04-03 US disclosed
EP-0815861-B1 Sulphonamides and their use HOFFMANN LA ROCHE (CH) 2001-09-19 EP disclosed
US-6030976-A SELECTIVE AFFINITY TO 5HT-6 RECEPTORS; CENTRAL NERVOUS SYSTEM DISORDERS; ALZHEIMER'S DISEASE, PSYCHOSES, SCHIZOPHRENIA, MANIC DEPRESSIONS, MEMORY DISORDERS, PARKINSON'S DISEASE, AMYOTROPHIC LATERAL SCLEROSIS AND HUNTINGTON'S DISEASE HOFFMAN-LA ROCHE INC. (US) 2000-02-29 US disclosed
US-5998665-A THERAPY FOR NERVOUS SYSTEM DISORDERS HOFFMANN-LA ROCHE INC. (US) 1999-12-07 US disclosed
US-5939451-A INDOL-4-YL-BENZENESULFONAMIDES AS ACTIVE MATERIAL TREATING MALARIA, BACTERIAL INFECTION, NEUROLOGICAL DISORDERS HOFFMANN-LA ROCHE INC. (US) 1999-08-17 US disclosed
US-5932599-A 4-AMINO-N-(PYRIDINYL-4-YL)-BENZENESULFONAMIDES AS ACTIVE MATERIAL TREATING MALARIA, BACTERIAL INFECTION, NEUROLOGICAL DISORDERS HOFFMANN-LA ROCHE INC. (US) 1999-08-03 US disclosed
EP-0815861-A1 Sulphonamides and their use F. HOFFMANN-LA ROCHE AG (CH) 1998-01-07 EP disclosed