SCHEMBL29978702

SCHEMBL29978702

Cc1ccc(OCC(=O)N2CCc3sc(-c4noc(C(F)(F)F)n4)cc3C2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
HDAC6 Q9UBN7 5/20 0.42
HDAC8 Q9BY41 3/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC5 Q9UQL6 1/20 0.42
RAB9A P51151 2/20 0.40
HDAC4 P56524 4/20 0.38
HDAC2 Q92769 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NOTUM Q6P988 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 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
SCHEMBL29977772 0.92 HDAC6 (0.43) MEN1KMT2AHDAC6HDAC8HDAC1
SCHEMBL29978398 0.92 MEN1 (0.44) MEN1KMT2AHDAC6HDAC8HDAC1
SCHEMBL29978262 0.91 HDAC6 (0.42) HDAC6HDAC8HDAC1HDAC5RAB9A
SCHEMBL29977850 0.90 HDAC6 (0.44) MEN1KMT2AHDAC6HDAC8HDAC1
SCHEMBL29978354 0.89 MEN1 (0.43) MEN1KMT2AHDAC6HDAC8HDAC1
SCHEMBL29978317 0.89 HDAC6 (0.44) MEN1KMT2AHDAC6HDAC8HDAC1
SCHEMBL29978823 0.88 LMNA (0.46) MEN1KMT2AHDAC6HDAC8HDAC1
SCHEMBL29978099 0.87 MEN1 (0.52) MEN1KMT2AHDAC6HDAC8HDAC1
SCHEMBL29977961 0.86 ALDH1A1 (0.44) HDAC6HDAC8HDAC1HDAC5RAB9A
SCHEMBL29978074 0.85 L3MBTL1 (0.49) MEN1KMT2AHDAC6HDAC8HDAC1

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