SCHEMBL6979685

SCHEMBL6979685

O=C(CC(=O)C(F)(F)F)c1nc2c(F)cccc2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.47
RAB9A P51151 6/20 0.47
NPC1 O15118 5/20 0.47
ALDH1A1 P00352 5/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
KDM4E B2RXH2 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
LMNA P02545 4/20 0.47
HPGD P15428 4/20 0.47
PRNP P04156 1/20 0.47
MAPT P10636 3/20 0.44
PKM P14618 2/20 0.44
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
HTR2C P28335 1/20 0.43
TP53 P04637 1/20 0.41
PLOD2 O00469 3/20 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
SCHEMBL6974833 0.83 DYRK1A (0.53) GAARAB9ANPC1ALDH1A1MEN1
SCHEMBL6978735 0.82 GAA (0.48) GAARAB9ANPC1ALDH1A1MEN1
SCHEMBL6979211 0.79 RAB9A (0.58) GAARAB9ANPC1ALDH1A1MEN1
SCHEMBL6972014 0.78 PLOD2 (0.41) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL2116026 0.76 SMN1; SMN2 (0.54) GAARAB9ANPC1ALDH1A1MEN1
SCHEMBL3060022 0.75 SMN1; SMN2 (0.57) GAARAB9ANPC1ALDH1A1MEN1
SCHEMBL6980098 0.75 HTR2C (0.53) GAARAB9ANPC1ALDH1A1MEN1
SCHEMBL6982879 0.73 PDPK1 (0.49) GAARAB9ANPC1ALDH1A1MEN1
SCHEMBL6981786 0.73 DYRK1A (0.49) RAB9ANPC1SMN1; SMN2LMNAHPGD
SCHEMBL6969298 0.71 STING1 (0.39) GAAPLOD2PLOD3PLOD1

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