SCHEMBL5327745

SCHEMBL5327745

O=C(c1ccc(-c2ccc(=O)[nH]n2)cc1)N1CCN(S(=O)(=O)c2ccc3c(Br)n[nH]c3c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
ALDH1A1 P00352 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
THRB P10828 1/20 0.47
ABL1 P00519 1/20 0.46
BCR P11274 1/20 0.46
LMNA P02545 3/20 0.46
F10 P00742 5/20 0.45
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL5326485 0.89 ALDH1A1 (0.48) MAPTALDH1A1L3MBTL1THRBABL1
SCHEMBL5323222 0.85 L3MBTL1 (0.47) MAPTALDH1A1L3MBTL1THRBLMNA
SCHEMBL6152664 0.84 F10 (0.65) MAPTALDH1A1L3MBTL1THRBLMNA
SCHEMBL5326524 0.84 L3MBTL1 (0.54) MAPTALDH1A1L3MBTL1THRBLMNA
SCHEMBL5322343 0.83 ALDH1A1 (0.53) MAPTALDH1A1L3MBTL1THRBLMNA
SCHEMBL5327740 0.81 ABL1 (0.46) MAPTALDH1A1ABL1BCR
SCHEMBL5303162 0.80 F10 (0.46) MAPTALDH1A1THRBABL1BCR
SCHEMBL6152346 0.80 ALDH1A1 (0.59) MAPTALDH1A1L3MBTL1F10
SCHEMBL14095701 0.75 F10 (0.50) MAPTALDH1A1L3MBTL1LMNAF10
SCHEMBL4900354 0.73 F10 (0.65) F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007008145-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES AS INHIBITORS OF FACTOR XA ASTRAZENECA AB (SE) 2007-01-18 WO claimed
WO-2007008145-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES AS INHIBITORS OF FACTOR XA ASTRAZENECA AB (SE) 2007-01-18 WO disclosed