SCHEMBL30953734

SCHEMBL30953734

O=C1CC2(COC2)Oc2cc(C(F)(F)F)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 5/20 0.39
TDP2 O95551 2/20 0.39
HDAC3 O15379 3/20 0.39
HDAC4 P56524 3/20 0.39
HDAC1 Q13547 3/20 0.39
HDAC7 Q8WUI4 3/20 0.39
HDAC2 Q92769 3/20 0.39
HDAC10 Q969S8 3/20 0.39
HDAC11 Q96DB2 3/20 0.39
HDAC8 Q9BY41 3/20 0.39
HDAC6 Q9UBN7 3/20 0.39
HDAC9 Q9UKV0 3/20 0.39
HDAC5 Q9UQL6 3/20 0.39
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
ATM Q13315 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL3587235 1.00 ALDH1A1 (0.41) ALDH1A1KDM4ETDP2HDAC3HDAC4
SCHEMBL30953869 0.89 RAF1 (0.41) ALDH1A1KDM4ETDP2HDAC3HDAC4
SCHEMBL30953611 0.86 RAF1 (0.46) ALDH1A1KDM4ETDP2HDAC3HDAC4
SCHEMBL3594528 0.86 RAF1 (0.46) ALDH1A1KDM4ETDP2HDAC3HDAC4
SCHEMBL30953777 0.85 KDM4E (0.50) ALDH1A1KDM4ETDP2HDAC3HDAC4
SCHEMBL30953576 0.85 KDM4E (0.54) ALDH1A1KDM4ETDP2HDAC3HDAC4
SCHEMBL3593417 0.85 KDM4E (0.50) ALDH1A1KDM4ETDP2HDAC3HDAC4
SCHEMBL23957134 0.84 HDAC3 (0.44) ALDH1A1KDM4ETDP2HDAC3HDAC4
SCHEMBL30953605 0.84 KDM4E (0.55) ALDH1A1KDM4ETDP2HDAC3HDAC4
SCHEMBL30953642 0.84 KDM4E (0.55) ALDH1A1KDM4ETDP2HDAC3HDAC4

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
WO-2024140431-A1 COMPOUNDS COMPRISING HETEROARYL RINGS AND COMPOSITIONS AND METHODS THEREOF IONGEN THERAPEUTICS CO., LTD. (CN) 2024-07-04 WO disclosed