SCHEMBL5962858

SCHEMBL5962858

N#Cc1ccc(C(=O)c2ccc(S)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.55
CA1 P00915 2/20 0.55
GSK3B P49841 2/20 0.50
PARP15 Q460N3 1/20 0.46
PARP10 Q53GL7 1/20 0.46
PARP2 Q9UGN5 1/20 0.46
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
CA12 O43570 1/20 0.43
CA3 P07451 1/20 0.43
CA6 P23280 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
VNN1 O95497 3/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
P4HB P07237 1/20 0.41

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
SCHEMBL3433075 0.89 CA2 (0.67) CA2CA1GSK3BPARP15PARP10
SCHEMBL9797519 0.82 GSK3B (0.53) GSK3BVNN1
SCHEMBL3424125 0.82 SRD5A2 (0.55) ALDH1A1MAPTRAB9A
Water SCHEMBL28352847 0.82 CA2 (0.52) CA2CA1ALDH1A1CA12CA3
SCHEMBL487363 0.82
SCHEMBL5962921 0.81 CA2 (0.70) CA2CA1GSK3BPARP15PARP10
SCHEMBL3215328 0.81 ALDH1A1 (0.61) CA2CA1GSK3BALDH1A1MAPT
SCHEMBL28888649 0.79 CA2 (0.50) CA2CA1ALDH1A1CA12CA3
SCHEMBL6511585 0.79 CA2 (0.50) CA2CA1ALDH1A1CA12CA3
SCHEMBL6515943 0.79 CA2 (0.50) CA2CA1ALDH1A1CA12CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6991874-B1 Compositions suitable for electrochemical cells BASF AKTIENGESELLSCHAFT (DE) 2006-01-31 US disclosed
US-6632561-B1 Particles and dual binder composed of crosslinkable and nonreactive polymers; high temperature dimensional stability; increased lithium ion conductivity BASF AKTIENGESELLSCHAFT (DE) 2003-10-14 US disclosed
EP-1088007-B1 COMPOSITIONS SUITABLE FOR ELECTROCHEMICAL CELLS BASF AG (DE) 2003-02-26 EP disclosed
US-6475663-B1 Compositions suitable for electrochemical cells BASF AKTIENGESELLSCHAFT (DE) 2002-11-05 US disclosed
EP-1090017-B1 NOVEL COMPOUNDS DERIVED FROM ALPHA-D-XYLOSE, PREPARATION METHOD AND THERAPEUTIC USE FOURNIER IND & SANTE (FR) 2002-10-30 EP disclosed
EP-1138092-B1 COMPOSITE BODIES USED AS SEPARATORS IN ELECTROCHEMICAL CELLS BASF AG (DE) 2002-09-25 EP disclosed
EP-1109841-B1 COMPOSITIONS SUITABLE FOR ELECTROCHEMICAL CELLS BASF AG (DE) 2002-03-27 EP disclosed
EP-1138092-A1 COMPOSITE BODIES USED AS SEPARATORS IN ELECTROCHEMICAL CELLS BASF AKTIENGESELLSCHAFT (DE) 2001-10-04 EP disclosed
US-6291433-B1 Derivatives of α-D-Thioxyloside and their use against atheroma FOURNIER INDUSTRIE ET SANTE (FR) 2001-09-18 US disclosed
EP-1109841-A1 COMPOSITIONS SUITABLE FOR ELECTROCHEMICAL CELLS BASF AKTIENGESELLSCHAFT (DE) 2001-06-27 EP disclosed
EP-1090017-A1 NOVEL COMPOUNDS DERIVED FROM $g(a)-D-XYLOSE, PREPARATION METHOD AND THERAPEUTIC USE FOURNIER INDUSTRIE ET SANTE (FR) 2001-04-11 EP disclosed
EP-1088007-A1 COMPOSITIONS SUITABLE FOR ELECTROCHEMICAL CELLS BASF AKTIENGESELLSCHAFT (DE) 2001-04-04 EP disclosed
WO-2000026977-A1 COMPOSITE BODIES USED AS SEPARATORS IN ELECTROCHEMICAL CELLS BASF AKTIENGESELLSCHAFT (DE) 2000-05-11 WO disclosed
US-6031044-A A WATER-SOLUBLE, WATER-DISPERSIBLE POLYURETHANE COPOLYMER HAVING PHOTOINITIATOR UNITS BONDED COVALENTLY TO THE POLYMER CHAIN; CROSSLINKABLE BY IRRADIATION WITH UV LIGHT AFTER DRYING; PROTECTIVE COATINGS BASF AKTIENGESELLSCHAFT (DE) 2000-02-29 US disclosed
WO-2000008068-A1 COMPOSITIONS SUITABLE FOR ELECTROCHEMICAL CELLS BASF AKTIENGESELLSCHAFT (DE) 2000-02-17 WO disclosed
WO-1999067261-A1 NOVEL COMPOUNDS DERIVED FROM α-D-XYLOSE, PREPARATION METHOD AND THERAPEUTIC USE FOURNIER INDUSTRIE ET SANTE (FR) 1999-12-29 WO disclosed
WO-1999057161-A1 COMPOSITIONS SUITABLE FOR ELECTROCHEMICAL CELLS BASF AKTIENGESELLSCHAFT (DE) 1999-11-11 WO disclosed
EP-0849300-A1 Polyurethanes with covalently bound photoinitiator-units BASF AKTIENGESELLSCHAFT (DE) 1998-06-24 EP disclosed
US-4996347-A Anticoagulant FOURNIER INNOVATION ET SYNERGIE (FR) 1991-02-26 US disclosed
US-4877808-A ANTITHROMBOTICS FOURNIER INNOVATION ET SYNERGIE (FR) 1989-10-31 US disclosed