SCHEMBL7706250

SCHEMBL7706250

NC(=O)c1cc2cc(F)c(F)cc2o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 2/20 0.39
FLT3 P36888 4/20 0.39
PIM1 P11309 4/20 0.38
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
CSNK2A3 Q8NEV1 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
CASP1 P29466 1/20 0.37
BRCA1 P38398 1/20 0.37
CASP7 P55210 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NPC1 O15118 2/20 0.37

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
SCHEMBL4310530 0.84 PIM1 (0.53) ALDH1A1FLT3PIM1CSNK2A2CSNK2B
SCHEMBL20136038 0.82 LMNA (0.56) ALDH1A1KMT2AFLT3PIM1CSNK2A2
SCHEMBL29610111 0.82 LMNA (0.56) ALDH1A1KMT2AFLT3PIM1CSNK2A2
SCHEMBL7701254 0.80 PRMT1 (0.36) FLT3
Hydrochloric Acid SCHEMBL7703630 0.78 PRMT1 (0.35) FLT3
SCHEMBL16708167 0.78 ALDH1A1 (0.40) ALDH1A1FLT3PIM1CSNK2A2CSNK2B
SCHEMBL20559694 0.78 MAPT (0.45) ALDH1A1KMT2APIM1LMNAKDM4E
SCHEMBL29609044 0.78 ALDH1A1 (0.40) ALDH1A1FLT3PIM1CSNK2A2CSNK2B
SCHEMBL7701356 0.77 KDM1A (0.31) FLT3LMNAHPGDMAPTTSHR
SCHEMBL2704996 0.77 NPC1 (0.49) ALDH1A1KMT2AFLT3PIM1PIM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100347164-C Benzofuryl derivatives and their use HOFMMANN LA ROCHE AG F (CH) 2007-11-07 CN disclosed
EP-0906301-B1 BENZOFURYL DERIVATIVES AND THEIR USE HOFFMANN LA ROCHE (CH) 2002-10-02 EP disclosed
US-5955495-A BENZOFURAN-2-CARBOXAMIDINE OR 2-CARBOXAMIDOXIME COMPOUNDS USEFUL IN THE CONTROL OR PREVENTION OF ILLNESSES OR DISORDERS OF THE CENTRAL NERVOUS SYSTEM SUCH AS MIGRAINE, SCHIZOPHRENIA, ANXIETY STATES, SLEEP DISORDERS, ANOREXIA, ALZHEIMER'S HOFFMANN-LA ROCHE INC. (US) 1999-09-21 US disclosed
CN-1217720-A Benzofuryl derivatives and their use HOFMMANN LA ROCHE (CH) 1999-05-26 CN disclosed
EP-0906301-A1 BENZOFURYL DERIVATIVES AND THEIR USE F. HOFFMANN-LA ROCHE AG (CH) 1999-04-07 EP disclosed
WO-1997042183-A1 BENZOFURYL DERIVATIVES AND THEIR USE F. HOFFMANN-LA ROCHE AG (CH) 1997-11-13 WO disclosed