SCHEMBL7336149

SCHEMBL7336149

COC(=O)c1ccc(-c2cccs2)cc1.COC(=O)c1ccc(-c2cccs2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.66
NPC1 O15118 2/20 0.66
TP53 P04637 1/20 0.66
RAB9A P51151 1/20 0.66
ATM Q13315 1/20 0.66
KMT2A Q03164 3/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
KDM4E B2RXH2 2/20 0.53
MEN1 O00255 2/20 0.53
ALDH1A1 P00352 1/20 0.53
NR4A2 P43354 1/20 0.52
SLC6A4 P31645 1/20 0.52
SLC6A3 Q01959 1/20 0.52
ABL1 P00519 2/20 0.51
BCR P11274 2/20 0.51
TSHR P16473 1/20 0.50
TNFRSF1A P19438 1/20 0.50
HDAC2 Q92769 2/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49

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
SCHEMBL3193250 1.00 MAPT (0.66) MAPTNPC1TP53RAB9AATM
SCHEMBL29612087 0.87 PTPN1 (0.68) MAPTNPC1TP53RAB9AATM
SCHEMBL6802813 0.85 HTR1A (0.54) MAPTNPC1TP53RAB9AATM
SCHEMBL2003093 0.82 MAPT (0.55) MAPTNPC1TP53RAB9AKMT2A
SCHEMBL1133065 0.80 MAPT (0.53) MAPTNPC1RAB9AKMT2AL3MBTL1
SCHEMBL5283489 0.80 ABL1 (0.46) MAPTNPC1TP53RAB9AATM
SCHEMBL27605045 0.80 ABL1 (0.55) KMT2AL3MBTL1KDM4EMEN1ALDH1A1
SCHEMBL30887807 0.79 KDM4E (0.53) MAPTNPC1RAB9AKMT2AL3MBTL1
SCHEMBL4579978 0.79 HDAC1 (0.81) HDAC2HDAC3HDAC4HDAC1HDAC7
SCHEMBL4579984 0.79 NPC1 (0.46) MAPTNPC1TP53RAB9AATM

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
EP-0819125-A1 THIENYL-, FURYL-, PYRROLYL- AND BIPHENYLSULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1998-01-21 EP disclosed
WO-1996031492-A1 THIENYL-, FURYL-, PYRROLYL- AND BIPHENYLSULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1996-10-10 WO disclosed