SCHEMBL5201525

SCHEMBL5201525

COC(=O)c1ccc2ccn(S(C)(=O)=O)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
ALDH1A1 P00352 3/20 0.51
HPGD P15428 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HSD17B10 Q99714 2/20 0.51
POLB P06746 2/20 0.51
APOBEC3A P31941 1/20 0.51
APOBEC3G Q9HC16 1/20 0.51
BACE1 P56817 1/20 0.49
HTR6 P50406 1/20 0.49
LMNA P02545 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
CPT2 P23786 2/20 0.43
CPT1A P50416 2/20 0.43
CPT1B Q92523 1/20 0.43
CA12 O43570 1/20 0.42

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
SCHEMBL30895925 1.00 KDM4E (0.51) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL30622545 0.83 HTR6 (0.52) KDM4EBACE1HTR6CPT2CPT1A
SCHEMBL2254417 0.82 MEN1 (0.64) KDM4EALDH1A1HPGDPOLBHTR6
SCHEMBL9372377 0.81 CPT1A (0.54) HTR6CYP2C9CPT2CPT1ACPT1B
SCHEMBL30955477 0.81 CPT1A (0.54) HTR6CYP2C9CPT2CPT1ACPT1B
SCHEMBL3145438 0.80 MEN1 (0.54) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL17913557 0.80 RAPGEF4 (0.61) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL30623233 0.78 KDM4E (0.56) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL27736579 0.78 KDM4E (0.56) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL232145 0.78 KDM4E (0.56) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0887346-B1 N-Phenyl-alkylsulfonamide derivatives, their preparation and their use as alpha1A/1L adrenoceptor agonists HOFFMANN LA ROCHE (CH) 2007-12-12 EP disclosed
EP-0887346-B1 N-Phenyl-alkylsulfonamide derivatives, their preparation and their use as alpha1A/1L adrenoceptor agonists HOFFMANN LA ROCHE (CH) 2007-12-12 EP disclosed
US-6057349-A ALPHA.SUB.1A/1L AGONISTS USED IN THE TREATMENT OF VARIOUS DISEASE STATES SUCH AS URINARY INCONTINENCE, NASAL CONGESTION, PRIAPISM, DEPRESSION, ANXIETY, DEMENTIA, SENILITY, ALZHEIMER'S, DEFICIENCIES IN ATTENTIVENESS AND COGNITION, AND F. HOFFMAN LA ROCHE AG (CH) 2000-05-02 US disclosed
US-5952362-A INHIBITOR OF GLYCOGEN PHOSPHORYLASE ENZYMETIC ACTIVITY AND GLUCOSE ACITIVITY SYNTEX (U.S.A) INC. (US) 1999-09-14 US disclosed
EP-0887346-A2 Phenyl-and aminophenyl-alkylsulfonamide and urea derivatives, their preparation and their use as alpha1A/1L adrenoceptor agonists F. HOFFMANN-LA ROCHE AG (CH) 1998-12-30 EP disclosed