SCHEMBL29978341

SCHEMBL29978341

O=C(CN1CCc2sc(-c3noc(C(F)(F)F)n3)cc2C1)NCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 10/20 0.48
HDAC6 Q9UBN7 10/20 0.48
POLB P06746 1/20 0.42
USP2 O75604 1/20 0.41
HTT P42858 1/20 0.41
HDAC1 Q13547 4/20 0.41
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HDAC5 Q9UQL6 3/20 0.40
HDAC3 O15379 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
NCOR2 Q9Y618 2/20 0.40
HDAC8 Q9BY41 3/20 0.40
HDAC2 Q92769 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL29978607 0.93 HDAC6 (0.43) HDAC4HDAC6HDAC1HDAC5HDAC3
SCHEMBL29978055 0.93 HDAC4 (0.43) HDAC4HDAC6HDAC1KDM4EHDAC5
SCHEMBL29978399 0.88 HDAC4 (0.45) HDAC4HDAC6POLBHDAC1LMNA
SCHEMBL29978595 0.87 HDAC6 (0.50) HDAC4HDAC6HDAC1ALDH1A1HDAC5
SCHEMBL29978154 0.85 HDAC4 (0.42) HDAC4HDAC6HDAC1LMNAHDAC5
SCHEMBL29978370 0.85 S1PR1 (0.42) HDAC4HDAC6HDAC1HDAC5HDAC3
SCHEMBL29977813 0.84 L3MBTL1 (0.52) HDAC4HDAC6POLBHTTHDAC1
SCHEMBL29978226 0.84 L3MBTL1 (0.52) HDAC4HDAC6POLBUSP2LMNA
SCHEMBL29978251 0.83 HDAC4 (0.47) HDAC4HDAC6HDAC1HDAC5HDAC3
SCHEMBL29978428 0.82 HDAC4 (0.50) HDAC4HDAC6HDAC1HDAC5HDAC3

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