SCHEMBL4699729

SCHEMBL4699729

O=S(=O)(c1cccs1)N1CC[N]CC1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.77
NPC1 O15118 3/20 0.61
USP2 O75604 1/20 0.61
RAB9A P51151 3/20 0.59
POLB P06746 2/20 0.57
KDM4E B2RXH2 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
MAPT P10636 2/20 0.56
JAK2 O60674 1/20 0.56
MAPK1 P28482 3/20 0.55
TSHR P16473 2/20 0.55
ALDH1A1 P00352 1/20 0.55
HPGD P15428 1/20 0.51

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
SCHEMBL5415687 0.84 PKM (0.85) PKMNPC1USP2RAB9APOLB
SCHEMBL2984938 0.82 PKM (0.82) PKMNPC1USP2RAB9APOLB
SCHEMBL16940 0.79 PKM (0.77) PKMNPC1USP2RAB9APOLB
SCHEMBL12656171 0.79 PKM (0.77) PKMNPC1USP2RAB9APOLB
SCHEMBL5830802 0.79 PKM (0.77) PKMNPC1USP2RAB9APOLB
SCHEMBL12092977 0.79 PKM (0.83) PKMNPC1USP2RAB9APOLB
Hydrochloric Acid SCHEMBL16597 0.78 PKM (0.74) PKMNPC1USP2RAB9APOLB
SCHEMBL13598990 0.77 PKM (0.72) PKMNPC1USP2RAB9APOLB
SCHEMBL7551425 0.76 PKM (0.75) PKMNPC1USP2RAB9APOLB
SCHEMBL7531705 0.76 PKM (0.75) PKMNPC1USP2RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1071680-B1 N,N-DISUBSTITUTED AMIDES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS ENCYSIVE PHARMACEUTICALS INC (US) 2008-07-23 EP claimed
EP-1071680-A4 N,N-DISUBSTITUTED AMIDES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS TEXAS BIOTECHNOLOGY CORP (US) 2003-03-05 EP claimed
US-6194448-B1 ANTIINFLAMMATORY AGENTS; ASTHMA; RHEUMATIC DISORDERS TEXAS BIOTECHNOLOGY CORPORATION 2001-02-27 US claimed
EP-1071680-A1 N,N-DISUBSTITUTED AMIDES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS TEXAS BIOTECHNOLOGY CORPORATION (US) 2001-01-31 EP claimed
WO-1999052898-A1 N,N-DISUBSTITUTED AMIDES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS TEXAS BIOTECHNOLOGY CORPORATION (US) 1999-10-21 WO claimed
EP-1071680-B1 N,N-DISUBSTITUTED AMIDES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS ENCYSIVE PHARMACEUTICALS INC (US) 2008-07-23 EP disclosed
EP-1071680-A4 N,N-DISUBSTITUTED AMIDES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS TEXAS BIOTECHNOLOGY CORP (US) 2003-03-05 EP disclosed
US-6262084-B1 Compounds that inhibit the binding of integrins to their receptors TEXAS BIOTECHNOLOGY CORPORATION 2001-07-17 US disclosed
US-6194448-B1 ANTIINFLAMMATORY AGENTS; ASTHMA; RHEUMATIC DISORDERS TEXAS BIOTECHNOLOGY CORPORATION 2001-02-27 US disclosed
EP-1071680-A1 N,N-DISUBSTITUTED AMIDES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS TEXAS BIOTECHNOLOGY CORPORATION (US) 2001-01-31 EP disclosed
WO-1999052898-A1 N,N-DISUBSTITUTED AMIDES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS TEXAS BIOTECHNOLOGY CORPORATION (US) 1999-10-21 WO disclosed