SCHEMBL29978759

SCHEMBL29978759

O=C(CN1CCc2sc(-c3noc(C(F)(F)F)n3)cc2C1)Nc1c(F)cccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 8/20 0.39
HDAC4 P56524 5/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
HDAC1 Q13547 5/20 0.38
HDAC8 Q9BY41 5/20 0.38
HDAC5 Q9UQL6 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
DGAT1 O75907 3/20 0.37
HDAC3 O15379 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL29978226 0.88 L3MBTL1 (0.52) HDAC6HDAC4KDM4ELMNAL3MBTL1
SCHEMBL29977813 0.87 L3MBTL1 (0.52) HDAC6HDAC4KDM4ELMNAHDAC1
SCHEMBL29978122 0.87 PRMT5 (0.44) HDAC6HDAC4KDM4ELMNAHDAC1
SCHEMBL29978721 0.87 DGAT1 (0.45) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL29978367 0.86 SMN1; SMN2 (0.43) HDAC6HDAC4LMNAHDAC1HDAC8
SCHEMBL29978163 0.85 PRMT5 (0.44) HDAC6HDAC4KDM4ELMNAHDAC1
SCHEMBL29977951 0.85 MAPT (0.40) HDAC6HDAC4KDM4ELMNAHDAC1
SCHEMBL29978399 0.85 HDAC4 (0.45) HDAC6HDAC4KDM4ELMNAHDAC1
SCHEMBL29977954 0.84 KMT2A (0.47) HDAC6HDAC4KDM4ELMNAHDAC1
SCHEMBL29978715 0.83 MAPT (0.42) HDAC6HDAC4L3MBTL1TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022234470-A1 NOVEL FUSED HETEROCYCLIC COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI PI INDUSTRIES LTD. (IN) 2022-11-10 WO claimed
WO-2022234470-A1 NOVEL FUSED HETEROCYCLIC COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI PI INDUSTRIES LTD. (IN) 2022-11-10 WO disclosed