SCHEMBL6600347

SCHEMBL6600347

Cn1nc(Cl)n(-c2ccccc2CBr)c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
MAPK14 Q16539 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MGLL Q99685 1/20 0.33
BRD9 Q9H8M2 2/20 0.33
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
PKM P14618 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
BRD7 Q9NPI1 1/20 0.32
SETDB1 Q15047 2/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
BRD4 O60885 1/20 0.32
KAT2B Q92831 1/20 0.32

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
SCHEMBL8155272 0.86 NPC1 (0.34) NPC1RAB9AMAPK14MEN1KMT2A
SCHEMBL6075631 0.79 SMN1; SMN2 (0.35) NPC1RAB9AMEN1KMT2AMGLL
SCHEMBL8486957 0.78 ALDH1A1 (0.35) MAPK14MEN1KMT2AALDH1A1BRD9
SCHEMBL8666669 0.78 SETDB1 (0.36) NPC1RAB9AMAPK14PKMSMN1; SMN2
SCHEMBL6603431 0.78 HCAR1 (0.48) MEN1KMT2AALDH1A1MGLLLMNA
SCHEMBL8590523 0.76 KDM4E (0.47) MEN1KMT2AALDH1A1LMNAL3MBTL1
SCHEMBL8706871 0.75 TNF (0.39) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL8593864 0.74 SMN1; SMN2 (0.47) NPC1MAPK14KMT2AALDH1A1MGLL
SCHEMBL8675983 0.72 SETDB1 (0.38) ALDH1A1BRD9LMNATSHRPKM
SCHEMBL15856633 0.72 MGLL (0.35) MGLLBRD9LMNAGSK3AGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6693124-B1 3H-1,2,4-TRIAZOL-3-ONE OR 3H-ISOOXAZOL-3-ONE DERIVATIVES; EFFICIENT FUNGICIDAL ACTIVITY BASF AKTIENGESELLSCHAFT (DE) 2004-02-17 US disclosed
EP-0836595-B1 TRIAZOLINE AND ISOXAZOLINE BIS-OXIME DERIVATIVES AND THEIR USE AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2004-01-02 EP disclosed
EP-0988293-B1 BISIMINO-SUBSTITUTED PHENYL COMPOUNDS AND THEIR USE AS PESTICIDES BASF AG (DE) 2002-04-17 EP disclosed
US-6057352-A CONTROLLING PLANT DISEASES CAUSED BY FUNGAL PLANT PATHOGENS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-05-02 US disclosed
US-5962436-A AGRICULTURE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1999-10-05 US disclosed
EP-0934283-A2 ARTHROPODICIDAL AND FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-08-11 EP disclosed
US-5932583-A PLANT SAFENING AGENT NOVARTIS CROP PROTECTION, INC. (US) 1999-08-03 US disclosed
EP-0836595-A1 TRIAZOLINE AND ISOXAZOLINE BIS-OXIME DERIVATIVES AND THEIR USE AS PESTICIDES Novartis AG (CH) 1998-04-22 EP disclosed
WO-1998005652-A2 ARTHROPODICIDAL AND FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-02-12 WO disclosed
EP-0810997-A1 FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-12-10 EP disclosed
WO-1997002255-A1 TRIAZOLINE AND ISOXAZOLINE BIS-OXIME DERIVATIVES AND THEIR USE AS PESTICIDES NOVARTIS AG (CH) 1997-01-23 WO disclosed
WO-1996036229-A1 FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-11-21 WO disclosed
WO-1996026191-A1 FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-08-29 WO disclosed