SCHEMBL29978595

SCHEMBL29978595

O=C(NCc1ccccc1)N1CCc2sc(-c3noc(C(F)(F)F)n3)cc2C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 8/20 0.50
HDAC4 P56524 8/20 0.50
HDAC1 Q13547 3/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TUBB4A P04350 4/20 0.43
TUBB P07437 4/20 0.43
TUBA3C P0DPH7 4/20 0.43
TUBA1B P68363 4/20 0.43
TUBA4A P68366 4/20 0.43
TUBB4B P68371 4/20 0.43
TUBB3 Q13509 4/20 0.43
TUBB2A Q13885 4/20 0.43
TUBB8 Q3ZCM7 4/20 0.43
TUBA3E Q6PEY2 4/20 0.43
TUBA1A Q71U36 4/20 0.43
TUBA1C Q9BQE3 4/20 0.43
TUBB6 Q9BUF5 4/20 0.43

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
SCHEMBL29978428 0.93 HDAC4 (0.50) HDAC6HDAC4HDAC1KMT2AMEN1
SCHEMBL29978217 0.92 KMT2A (0.50) HDAC6HDAC4HDAC1KMT2AMEN1
SCHEMBL29978276 0.92 MAPK1 (0.46) HDAC6HDAC4HDAC1KMT2AMEN1
SCHEMBL29978937 0.89 HDAC6 (0.41) HDAC6HDAC4HDAC1KMT2AMEN1
SCHEMBL29978361 0.88 TP53 (0.39) HDAC6HDAC4HDAC1KMT2ATDP1
SCHEMBL29978371 0.88 HDAC4 (0.52) HDAC6HDAC4HDAC1KMT2ANPC1
SCHEMBL29978205 0.88 HDAC4 (0.47) HDAC6HDAC4HDAC1KMT2AMEN1
SCHEMBL29978341 0.87 HDAC4 (0.48) HDAC6HDAC4HDAC1HDAC5HDAC3
SCHEMBL29978188 0.86 HDAC4 (0.41) HDAC6HDAC4HDAC1HDAC5HDAC3
SCHEMBL29977874 0.86 HDAC4 (0.45) HDAC6HDAC4HDAC1HDAC5HDAC3

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