SCHEMBL27890801

SCHEMBL27890801

COc1ccc(-c2cc(-c3ccccc3)n(C(F)(F)F)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.55
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
LMNA P02545 1/20 0.53
HPGD P15428 1/20 0.53
GLA P06280 1/20 0.53
GAA P10253 1/20 0.53
KCNQ3 O43525 1/20 0.46
KCNQ2 O43526 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
STAT1 P42224 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ATM Q13315 1/20 0.46

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
SCHEMBL27907640 0.81 FLT3 (0.56) MAPTKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL27890734 0.81 TP53 (0.47) MAPTKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL13757487 0.81 MEN1 (0.51) MAPTKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL27907529 0.81 FUBP1 (0.45) MAPTKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL27890786 0.78 FABP3 (0.41) MAPTKDM4EALDH1A1SMN1; SMN2GLA
SCHEMBL28873587 0.77 RPA1 (0.61) KDM4EALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL6457787 0.75 ALDH1A1 (0.60) KDM4EALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL11391264 0.75 RPA1 (0.67) KDM4EALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL7995817 0.73 MAPT (0.63) MAPTKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL6693299 0.72 ATM (0.55) MAPTKDM4EALDH1A1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101906105-B Pyrazolo (1,5-a) pyrimidone derivative as well as drug combination thereof and application thereof UNIV HEBEI MEDICAL 2013-01-16 CN disclosed