SCHEMBL6621183

SCHEMBL6621183

NS(=O)(=O)C1=CCC(c2ccccc2)C=C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.35
CA1 P00915 6/20 0.35
CA9 Q16790 5/20 0.35
CA12 O43570 3/20 0.35
CA5A P35218 2/20 0.35
CA7 P43166 2/20 0.35
CA14 Q9ULX7 2/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
PLA2G7 Q13093 1/20 0.35
CA13 Q8N1Q1 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
KDM1A O60341 1/20 0.32
MAOA P21397 1/20 0.32
RECQL P46063 1/20 0.32
ALDH1A1 P00352 2/20 0.31

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
SCHEMBL16316806 0.83 RIPK1 (0.32) KDM4EMAPTHPGDALDH1A1L3MBTL1
SCHEMBL24069063 0.83 ALDH1A1 (0.35) KDM4EMAPTHPGDALDH1A1RAB9A
SCHEMBL14520610 0.80 RIPK1 (0.35) KDM1A
SCHEMBL4479260 0.77 MAOB (0.34) KDM4EMAPTHPGDKDM1AMAOA
SCHEMBL5718734 0.73 CA2 (0.35) CA2CA1CA9CA12CA5A
SCHEMBL3430409 0.70 PARP1 (0.35) KDM4EMAPTHPGDKDM1AMAOA
SCHEMBL21321548 0.69
SCHEMBL24316682 0.69 RECQL (0.32) KDM1AMAOARECQLSLC6A3LMNA
SCHEMBL12087540 0.69 HDAC4 (0.34) KDM4EMAPTKDM1AMAOARECQL
SCHEMBL12719938 0.69 RECQL (0.32) KDM1AMAOARECQLSLC6A3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004112779-A1 NEW USE VII BIOVITRUM AB (SE) 2004-12-29 WO claimed
WO-2004113310-A1 USE OF AN INHIBITOR OF 11-B-HYDROXYSTEROID DEHYDROGENASE TYPE 1 COMPOUNDS FOR PROMOTING WOUND HEALING BIOVITRUM AB (SE) 2004-12-29 WO claimed
EP-1461325-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2004-09-29 EP claimed
EP-1461333-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2004-09-29 EP claimed
WO-2003070244-A1 ANTAGONIST OF MELANIN CONCENTRATING HORMONE AND THEIR USES ABBOTT LABORATORIES (US) 2003-08-28 WO claimed
WO-2003044009-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2003-05-30 WO claimed
WO-2003043999-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2003-05-30 WO claimed
WO-2019075394-A1 COMPOUNDS FOR TREATMENT OF EMOTIONAL/PSYCHOLOGICAL SYMPTOMS IN FRAGILE X SYNDROME VANDERKLISH PETER (US) 2019-04-18 WO disclosed
WO-2004112779-A1 NEW USE VII BIOVITRUM AB (SE) 2004-12-29 WO disclosed
WO-2004113310-A1 USE OF AN INHIBITOR OF 11-B-HYDROXYSTEROID DEHYDROGENASE TYPE 1 COMPOUNDS FOR PROMOTING WOUND HEALING BIOVITRUM AB (SE) 2004-12-29 WO disclosed
EP-1461333-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2004-09-29 EP disclosed
EP-1461327-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2004-09-29 EP disclosed
WO-2004021997-A2 INHIBITORS OF FUNGAL INVASION MICROBIA, INC. (US) 2004-03-18 WO disclosed
WO-2003070244-A1 ANTAGONIST OF MELANIN CONCENTRATING HORMONE AND THEIR USES ABBOTT LABORATORIES (US) 2003-08-28 WO disclosed
WO-2003044000-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2003-05-30 WO disclosed
WO-2003044009-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2003-05-30 WO disclosed