SCHEMBL6975976

SCHEMBL6975976

Cc1ccc2nc(C(=O)CC(=O)C(F)(F)C(F)(F)F)sc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.47
DYRK1A Q13627 1/20 0.47
GAA P10253 1/20 0.47
TP53 P04637 3/20 0.46
MAOB P27338 3/20 0.45
RAB9A P51151 8/20 0.44
NPC1 O15118 7/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 3/20 0.44
PTPN1 P18031 1/20 0.44
ALDH1A1 P00352 3/20 0.43
MITF O75030 2/20 0.43
MAP3K5 Q99683 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
MAPT P10636 2/20 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
SCHEMBL6975865 0.90 TP53 (0.51) ACP1DYRK1AGAATP53MAOB
SCHEMBL6984031 0.81 ACP1 (0.50) ACP1DYRK1ATP53MAOBRAB9A
SCHEMBL6982879 0.75 PDPK1 (0.49) DYRK1AGAAMAOBRAB9ANPC1
SCHEMBL6983733 0.74 DYRK1A (0.48) DYRK1AGAAMAOBRAB9ANPC1
SCHEMBL6979367 0.74 MAPT (0.57) DYRK1ATP53MAOBRAB9ANPC1
SCHEMBL6980043 0.73 DYRK1A (0.60) ACP1DYRK1AGAATP53MAOB
SCHEMBL2210476 0.73 DYRK1A (0.56) ACP1DYRK1ATP53MAOBRAB9A
SCHEMBL11224458 0.72 DYRK1A (0.55) ACP1DYRK1AGAATP53MAOB
SCHEMBL3093869 0.72 RAB9A (0.57) ACP1DYRK1AGAATP53MAOB
SCHEMBL6969298 0.71 STING1 (0.39) GAAMAOB

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