SCHEMBL6983750

SCHEMBL6983750

CC(=O)c1nc2ccc(F)cc2s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.61
PDPK1 O15530 1/20 0.61
KDM4E B2RXH2 3/20 0.56
MEN1 O00255 3/20 0.56
LMNA P02545 3/20 0.56
MAPT P10636 3/20 0.56
KMT2A Q03164 3/20 0.56
HPGD P15428 2/20 0.56
HTT P42858 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
ALDH1A1 P00352 2/20 0.56
NPC1 O15118 1/20 0.56
USP2 O75604 1/20 0.56
TP53 P04637 1/20 0.56
CASP1 P29466 1/20 0.56
CASP3 P42574 1/20 0.56
RAB9A P51151 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
SENP8 Q96LD8 1/20 0.56
SENP7 Q9BQF6 1/20 0.56

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
SCHEMBL6982986 0.87 DYRK1A (0.61) DYRK1APDPK1KDM4EMEN1LMNA
SCHEMBL14020422 0.86 HSD17B1 (0.57) DYRK1APDPK1KDM4EMEN1LMNA
SCHEMBL3644141 0.85 PDPK1 (0.55) DYRK1APDPK1KDM4EMEN1LMNA
SCHEMBL2656824 0.83 GFER (0.57) DYRK1APDPK1KDM4EMEN1LMNA
SCHEMBL30770326 0.83 GFER (0.57) DYRK1APDPK1KDM4EMEN1LMNA
SCHEMBL25219141 0.83 MAPT (0.64) DYRK1APDPK1KDM4EMEN1LMNA
SCHEMBL30040343 0.83 MAPT (0.64) DYRK1APDPK1KDM4EMEN1LMNA
SCHEMBL6980043 0.81 DYRK1A (0.60) DYRK1AKDM4EMEN1LMNAMAPT
SCHEMBL13466474 0.81 RAB9A (0.63) DYRK1AMAPTHTTALDH1A1NPC1
SCHEMBL14020213 0.81 HSD17B1 (0.59) DYRK1APDPK1KDM4EMEN1LMNA

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