SCHEMBL5201333

SCHEMBL5201333

CS(=O)(=O)Nc1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 9/20 0.56
MCL1 Q07820 1/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
HSD17B10 Q99714 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
MAPT P10636 2/20 0.53
TSHR P16473 2/20 0.53
PTGS1 P23219 2/20 0.53
PTGS2 P35354 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MLNR O43193 1/20 0.53
LMNA P02545 1/20 0.53
MMP1 P03956 1/20 0.53
MPO P05164 1/20 0.53
GLA P06280 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
CYP2C9 P11712 1/20 0.53

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
SCHEMBL38656198 1.00 CYP19A1 (0.56) CYP19A1MCL1MEN1KMT2AHSD17B10
SCHEMBL6816523 0.87 CRHBP (0.65) CYP19A1MEN1KMT2AHSD17B10CYP1A2
SCHEMBL3237240 0.85 CYP19A1 (0.64) CYP19A1MEN1KMT2AHSD17B10CYP1A2
SCHEMBL27183104 0.84 HSD17B10 (0.53) MCL1MEN1KMT2AHSD17B10SMN1; SMN2
SCHEMBL8696573 0.83 MCL1 (0.51) MCL1MEN1KMT2AHSD17B10CYP3A4
SCHEMBL5201193 0.82 MCL1 (0.59) CYP19A1MCL1MEN1KMT2AHSD17B10
SCHEMBL29451324 0.82 MCL1 (0.59) CYP19A1MCL1MEN1KMT2AHSD17B10
SCHEMBL17526275 0.82 MCL1 (0.50) CYP19A1MCL1MEN1KMT2AHSD17B10
SCHEMBL11932410 0.81 CRHBP (0.61) CYP19A1MCL1CYP1A2CYP3A4MAPT
SCHEMBL7869881 0.81 CYP19A1 (0.56) CYP19A1MEN1KMT2AHSD17B10CYP1A2

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 9 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
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
EP-0490936-B1 PRODUCTION OF TRIAZOLINONES FMC CORP (US) 1996-10-23 EP disclosed
EP-0490936-A4 PRODUCTION OF TRIAZOLINONES 1992-10-14 EP disclosed
EP-0490936-A1 PRODUCTION OF TRIAZOLINONES. FMC CORP (US) 1992-06-24 EP disclosed
WO-1991003470-A1 PRODUCTION OF TRIAZOLINONES FMC CORPORATION (US) 1991-03-21 WO disclosed
US-4980480-A Production of triazolinones FMC CORPORATION (US) 1990-12-25 US disclosed