SCHEMBL4736094

SCHEMBL4736094

O=C(c1n[nH]c2ccccc12)C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.58
YTHDC1 Q96MU7 1/20 0.58
STAT3 P40763 1/20 0.58
HIF1A Q16665 1/20 0.58
CTNNB1 P35222 4/20 0.56
WNT3A P56704 4/20 0.56
FLT3 P36888 2/20 0.55
CCNA2 P20248 1/20 0.55
CDK2 P24941 1/20 0.55
CCNA1 P78396 1/20 0.55
IDO1 P14902 1/20 0.53
MAPK1 P28482 1/20 0.51
NPC1 O15118 5/20 0.50
RAB9A P51151 4/20 0.50
EPHB3 P54753 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
ALDH1A1 P00352 1/20 0.49
RBP4 P02753 1/20 0.48

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
SCHEMBL8232893 0.84 KDM4E (0.61) KDM4EYTHDC1STAT3HIF1ACTNNB1
SCHEMBL30451174 0.81 KDM4E (0.62) KDM4EYTHDC1STAT3HIF1ACTNNB1
SCHEMBL7668372 0.81 KDM4E (0.66) KDM4EYTHDC1STAT3HIF1ACTNNB1
SCHEMBL31148407 0.81 KDM4E (0.66) KDM4EYTHDC1STAT3HIF1ACTNNB1
Trifluoroacetic Acid SCHEMBL15546473 0.80 FLT3 (0.54) KDM4EYTHDC1STAT3HIF1ACTNNB1
SCHEMBL4066785 0.80 KDM4E (0.60) KDM4EYTHDC1STAT3HIF1ACTNNB1
SCHEMBL29444537 0.79 FLT3 (0.65) KDM4EYTHDC1STAT3HIF1ACTNNB1
SCHEMBL5353834 0.79 FLT3 (0.65) KDM4EYTHDC1STAT3HIF1ACTNNB1
SCHEMBL42245 0.79 FLT3 (0.65) KDM4EYTHDC1STAT3HIF1ACTNNB1
SCHEMBL217086 0.78 KDM4E (0.67) KDM4EYTHDC1STAT3HIF1ACTNNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109134376-B Synthetic method of 3-trifluoroacetyl indazole derivative 华南理工大学 2021-09-21 CN claimed
CN-109134376-B Synthetic method of 3-trifluoroacetyl indazole derivative 华南理工大学 2021-09-21 CN disclosed
CN-109134376-B Synthetic method of 3-trifluoroacetyl indazole derivative 华南理工大学 2021-09-21 CN disclosed
CN-109134376-B Synthetic method of 3-trifluoroacetyl indazole derivative 华南理工大学 2021-09-21 CN disclosed
WO-2008074757-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2008-06-26 WO disclosed