SCHEMBL28035650

SCHEMBL28035650

O=C1N=NC(c2ccccc2)=C1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.38
BACE1 P56817 1/20 0.37
HPGD P15428 3/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
PKM P14618 1/20 0.35
TSHR P16473 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
LMNA P02545 2/20 0.32
HTT P42858 2/20 0.32
MAPT P10636 1/20 0.32
KCNQ3 O43525 2/20 0.32
KCNQ2 O43526 2/20 0.32
PIM1 P11309 1/20 0.32
PIM3 Q86V86 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
HSD17B10 Q99714 2/20 0.32

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
SCHEMBL10964297 0.74 LMNA (0.36) BACE1HPGDALDH1A1KDM4ECYP1A2
SCHEMBL10359088 0.71 PDE4B (0.39) HPGDALDH1A1KDM4ELMNAHTT
SCHEMBL10688416 0.69 MAPT (0.36) HPGDALDH1A1KDM4ELMNAHTT
SCHEMBL214204 0.69 L3MBTL1 (0.36) ALDH1A1KDM4ETSHRLMNAHTT
SCHEMBL11519983 0.67 FGFR1 (0.43) ALDH1A1KDM4ETSHRLMNATP53
SCHEMBL7761880 0.64 TSHR (0.39) BACE1ALDH1A1KDM4ETSHRHDAC6
SCHEMBL8970861 0.64 ALDH1A1 (0.44) ALDH1A1KDM4ECYP1A2CYP2C9PKM
SCHEMBL28384827 0.63 BACE1 (0.42) KIF11BACE1HPGDALDH1A1KDM4E
Biphenyl SCHEMBL27543247 0.58 ALDH1A1 (0.64) KIF11BACE1ALDH1A1CYP1A2TSHR
SCHEMBL1326009 0.58

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
CN-104910167-B 1H-furo [2,3-c] pyrazole derivative, synthetic method therefor and applications 浙江师范大学 2017-05-03 CN claimed
CN-104910167-B 1H-furo [2,3-c] pyrazole derivative, synthetic method therefor and applications 浙江师范大学 2017-05-03 CN disclosed
CN-104910167-A 1H-furo [2,3-c] pyrazole derivative, synthetic method therefor and applications UNIV ZHEJIANG NORMAL 2015-09-16 CN disclosed