SCHEMBL29978646

SCHEMBL29978646

O=C(c1ccncc1)N1CCc2cc(-c3noc(C(F)(F)F)n3)sc2C1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 15/20 0.48
HDAC6 Q9UBN7 8/20 0.48
HDAC8 Q9BY41 3/20 0.48
HDAC2 Q92769 1/20 0.48
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HDAC1 Q13547 2/20 0.39
HDAC5 Q9UQL6 1/20 0.38
MGLL Q99685 1/20 0.37
GRM5 P41594 1/20 0.37

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
SCHEMBL29978650 1.00 HDAC4 (0.48) HDAC4HDAC6HDAC8HDAC2MEN1
SCHEMBL29978213 0.92 HDAC4 (0.50) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL29978909 0.92 HDAC4 (0.48) HDAC4HDAC6HDAC8HDAC2MEN1
SCHEMBL29978476 0.91 HDAC4 (0.50) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL29978604 0.91 HDAC4 (0.50) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL29978418 0.90 HDAC4 (0.52) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL29978706 0.90 HPGD (0.49) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL29978464 0.89 HDAC4 (0.40) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL29978085 0.89 HDAC4 (0.43) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL29978179 0.88 HDAC4 (0.49) HDAC4HDAC6HDAC8HDAC2MEN1

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