SCHEMBL6983145

SCHEMBL6983145

O=C(CC(=O)C(F)F)c1nc2ccc(Cl)cc2s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.49
FSCN1 Q16658 1/20 0.49
MAOB P27338 3/20 0.47
CASP3 P42574 7/20 0.46
SENP7 Q9BQF6 7/20 0.46
SENP8 Q96LD8 6/20 0.46
SENP6 Q9GZR1 6/20 0.46
PPARA Q07869 1/20 0.45
NPC1 O15118 4/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PTPN1 P18031 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
ALOX12 P18054 1/20 0.44

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
SCHEMBL6979336 0.85 PDPK1 (0.50) DYRK1AMAOBSMN1; SMN2ALDH1A1MAPT
SCHEMBL6984031 0.84 ACP1 (0.50) DYRK1AMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL6983733 0.83 DYRK1A (0.48) DYRK1AFSCN1MAOBCASP3SENP7
SCHEMBL6981089 0.81 MAPT (0.56) DYRK1AMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL6978201 0.80 RAB9A (0.60) MAOBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3592984 0.78 DYRK1A (0.48) DYRK1AFSCN1MAOBCASP3SENP7
SCHEMBL14020419 0.78 DYRK1A (0.56) DYRK1AFSCN1MAOBCASP3SENP7
SCHEMBL25219927 0.77 MAOB (0.57) DYRK1AFSCN1MAOBCASP3SENP7
SCHEMBL30039909 0.77 MAOB (0.57) DYRK1AFSCN1MAOBCASP3SENP7
SCHEMBL3641915 0.76 PPARA (0.57) DYRK1AFSCN1MAOBCASP3SENP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1006114-B1 PYRAZOLE DERIVATIVES AND COX INHIBITORS CONTAINING THEM GRELAN PHARMACEUTICAL CO (JP) 2003-01-22 EP disclosed
US-6136831-A ANTIINFLAMMATORY AGENTS, GASTROINTESTINAL AGENTS, ENZYME INHIBITORS GRELAN PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US disclosed
EP-1006114-A1 PYRAZOLE DERIVATIVES AND COX INHIBITORS CONTAINING THEM Grelan Pharmaceutical Co., Ltd. (JP) 2000-06-07 EP disclosed