SCHEMBL8360359

SCHEMBL8360359

Cc1cc(I)ccc1S(N)(=O)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDIA6 Q15084 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
TET2 Q6N021 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
RAPGEF4 Q8WZA2 1/20 0.39
LMNA P02545 2/20 0.38
CA1 P00915 5/20 0.38
CA2 P00918 5/20 0.38
CA7 P43166 2/20 0.38
PTGS2 P35354 1/20 0.37

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
SCHEMBL18098668 0.81 L3MBTL1 (0.59) PDIA6L3MBTL1ALDH1A1POLBMAPT
SCHEMBL30266645 0.78 PDIA6 (0.55) PDIA6L3MBTL1ALDH1A1KDM4EMEN1
SCHEMBL5795116 0.78 PDIA6 (0.55) PDIA6L3MBTL1ALDH1A1KDM4EMEN1
SCHEMBL23536145 0.77 PDIA6 (0.53) PDIA6L3MBTL1KDM4EMEN1MAPT
SCHEMBL1807019 0.77 L3MBTL1 (0.70) PDIA6L3MBTL1ALDH1A1KDM4EMEN1
SCHEMBL3781004 0.77 CA2 (0.50) ALDH1A1KDM4ETET2CA1CA2
SCHEMBL1808292 0.77 PDIA6 (0.53) PDIA6L3MBTL1ALDH1A1KDM4EMEN1
SCHEMBL12094098 0.77 PDIA6 (0.53) PDIA6L3MBTL1ALDH1A1KDM4EMEN1
SCHEMBL1807162 0.76 PDIA6 (0.53) PDIA6L3MBTL1ALDH1A1KDM4ELMNA
SCHEMBL3257803 0.76 CA2 (0.38) PDIA6ALDH1A1KDM4ETET2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003026652-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-04-03 WO disclosed