SCHEMBL5693323

SCHEMBL5693323

CCCc1ccc(S(N)(=O)=O)c(-c2nccs2)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.41
AGTR2 P50052 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
ADRB2 P07550 1/20 0.37
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA6 P23280 2/20 0.36
CA7 P43166 2/20 0.36
CA13 Q8N1Q1 2/20 0.36
HPGD P15428 6/20 0.36
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
EDNRB P24530 1/20 0.34
EDNRA P25101 1/20 0.34
ENPP3 O14638 1/20 0.34
CA9 Q16790 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33

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
Hydrochloric Acid SCHEMBL20899882 0.99 CA2 (0.40) CA2AGTR2LOXL2CNR1CNR2
SCHEMBL3838065 0.78 ALDH1A1 (0.39) CA2LOXL2CA12CA1CA6
SCHEMBL28816427 0.78 LOXL2 (0.45) CA2LOXL2ADRB2EDNRBEDNRA
SCHEMBL30130504 0.78 ALDH1A1 (0.39) CA2LOXL2CA12CA1CA6
SCHEMBL5693321 0.74 CA2 (0.41) CA2CA12CA1CA7CA13
SCHEMBL12495358 0.74 LOXL2 (0.37) AGTR2LOXL2ADRB2HPGDNPC1
SCHEMBL6681646 0.74 GABRA1 (0.41) CA2LOXL2ENPP3CA9
SCHEMBL6623864 0.74 PDPK1 (0.49) CA2LOXL2CA12CA1ENPP3
Hydrochloric Acid SCHEMBL20899879 0.73 CA2 (0.40) CA2CA12CA1CA7CA13
SCHEMBL27200647 0.73 ADRB2 (0.48) CA2LOXL2ADRB2CA1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004112783-A1 NEW USE IV BIOVITRUM AB (SE) 2004-12-29 WO claimed
EP-1283831-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2003-02-19 EP claimed
WO-2001090090-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2001-11-29 WO claimed
EP-1638553-A1 NEW USE I BIOVITRUM AB (SE) 2006-03-29 EP disclosed
WO-2004112783-A1 NEW USE IV BIOVITRUM AB (SE) 2004-12-29 WO disclosed
WO-2004112784-A1 NEW USE I BIOVITRUM AB (SE) 2004-12-29 WO disclosed