SCHEMBL6421715

SCHEMBL6421715

CC(C(=O)NO)N(CCN1CCOCC1)S(=O)(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.52
LMNA P02545 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
RAB9A P51151 1/20 0.52
MMP2 P08253 2/20 0.52
MMP13 P45452 2/20 0.52
MMP3 P08254 1/20 0.51
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
IDO1 P14902 1/20 0.49
CA12 O43570 2/20 0.47
CA9 Q16790 2/20 0.47
CA1 P00915 1/20 0.47
TP53 P04637 1/20 0.46
ALDH1A1 P00352 4/20 0.46
TSHR P16473 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX15 P16050 1/20 0.45

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
SCHEMBL6421711 1.00 NPC1 (0.52) NPC1LMNASMN1; SMN2RAB9AMMP2
SCHEMBL6424088 0.92 MMP2 (0.57) NPC1LMNASMN1; SMN2RAB9AMMP2
SCHEMBL6424082 0.92 MMP2 (0.57) NPC1LMNASMN1; SMN2RAB9AMMP2
SCHEMBL6422847 0.91 MMP2 (0.64) NPC1LMNASMN1; SMN2RAB9AMMP2
SCHEMBL6450974 0.83 MMP2 (0.70) NPC1LMNASMN1; SMN2RAB9AMMP2
SCHEMBL6450980 0.83 MMP2 (0.70) NPC1LMNASMN1; SMN2RAB9AMMP2
SCHEMBL16160210 0.82 MMP2 (0.49) LMNASMN1; SMN2RAB9AMMP2MMP13
SCHEMBL6438768 0.82 MMP2 (0.60) NPC1LMNASMN1; SMN2RAB9AMMP2
SCHEMBL6438773 0.82 MMP2 (0.60) NPC1LMNASMN1; SMN2RAB9AMMP2
SCHEMBL6421062 0.82 MMP2 (0.53) LMNASMN1; SMN2MMP2MMP13MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0983267-B1 AMIDOAROMATIC RING SULFONAMIDE HYDROXAMIC ACID COMPOUNDS PHARMACIA CORP (US) 2005-01-26 EP disclosed
US-6451791-B1 Amidoaromatic ring sulfonamide hydroxamic acid compounds MONSANTO COMPANY 2002-09-17 US disclosed
EP-0983267-A1 AMIDOAROMATIC RING SULFONAMIDE HYDROXAMIC ACID COMPOUNDS MONSANTO COMPANY (US) 2000-03-08 EP disclosed
WO-1998039329-A1 AMIDOAROMATIC RING SULFONAMIDE HYDROXAMIC ACID COMPOUNDS MONSANTO COMPANY (US) 1998-09-11 WO disclosed