SCHEMBL8084871

SCHEMBL8084871

O=C(NCc1ccccc1)c1cnc(-c2ccccc2)nc1S

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 3/20 0.64
THRB P10828 1/20 0.55
TACR3 P29371 1/20 0.54
CHRNB2 P17787 1/20 0.52
CHRNB4 P30926 1/20 0.52
CHRNA3 P32297 1/20 0.52
CHRNA4 P43681 1/20 0.52
RXFP1 Q9HBX9 2/20 0.51
KMT2A Q03164 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
CNR2 P34972 1/20 0.47
HTT P42858 1/20 0.47
EGLN1 Q9GZT9 1/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
JAK2 O60674 1/20 0.46

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
SCHEMBL8085695 0.87 RAB9A (0.53) HPGDSTHRBRXFP1KMT2AEGLN1
SCHEMBL8085675 0.84 HPGDS (0.64) HPGDSTHRBTACR3CHRNB2CHRNB4
SCHEMBL22573822 0.84 HPGDS (0.64) HPGDSTHRBTACR3CHRNB2CHRNB4
SCHEMBL12929680 0.81 HPGDS (0.60) HPGDSTHRBTACR3CHRNB2CHRNB4
SCHEMBL8085682 0.80 THRB (0.50) HPGDSTHRBTACR3KMT2AL3MBTL1
SCHEMBL4636511 0.79 HPGDS (1.00) HPGDSL3MBTL1MAPK1MAP4K4PRKCG
SCHEMBL4279782 0.78 MEN1 (0.59) HPGDSKMT2AL3MBTL1HTTLMNA
SCHEMBL22573675 0.78 MMP13 (0.57) HPGDSTHRBKMT2AHTTLMNA
SCHEMBL22573294 0.78 MAPK1 (0.57) HPGDSTHRBKMT2AHTTALDH1A1
SCHEMBL22573405 0.76 HTT (0.56) HPGDSTHRBKMT2AHTTEGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6133270-A Isothiazolones and pharmaceutical formulations WARNER-LAMBERT COMPANY (US) 2000-10-17 US disclosed
US-6001863-A USEFUL AS ANTIVIRAL, ANTIINFLAMMATORY AND ANTIATHEROSCLEROSIS AGENT; ADMINISTERING TO THE PATIENT IN NEED OF ZINC EJECTION FROM NUCLEOCAPSID PROTEIN WARNER-LAMBERT COMPANY (US) 1999-12-14 US disclosed
US-5889034-A ANTIINFLAMMATORY AGENT; ANTIATHEROSCLEROSIS AGENT; VIRICIDES WARNER-LAMBERT COMPANY (US) 1999-03-30 US disclosed
US-5733921-A ANTIRETROVIRAL AGENTS; ANTIINFLAMMATORY AGENTS; ANTIATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1998-03-31 US disclosed
EP-0828488-A1 ISOTHIAZOLONES WARNER-LAMBERT COMPANY (US) 1998-03-18 EP disclosed
US-5668162-A Isothiazolones lower plasma levels of lipoprotein(a) WARNER-LAMBERT COMPANY 1997-09-16 US disclosed
US-5620997-A VIRICIDES, ANTIINFLAMMATORY AGENTS, ANTIATHEROSCLEROTIC AGENT WARNER-LAMBERT COMPANY (US) 1997-04-15 US disclosed
WO-1996038144-A1 ISOTHIAZOLONES WARNER-LAMBERT COMPANY (US) 1996-12-05 WO disclosed