SCHEMBL29977989

SCHEMBL29977989

O=C(c1ccccn1)N1CCc2sc(-c3noc(C(F)(F)F)n3)cc2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 5/20 0.41
HDAC6 Q9UBN7 5/20 0.41
HDAC8 Q9BY41 3/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC1 Q13547 2/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
HTT P42858 2/20 0.40
HPGD P15428 3/20 0.39
TSHR P16473 3/20 0.39
ALDH1A1 P00352 3/20 0.39
POLB P06746 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
PDE4B Q07343 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NAMPT P43490 1/20 0.38
MAPT P10636 2/20 0.38
ALOX15 P16050 2/20 0.38

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
SCHEMBL29978135 0.93 HDAC4 (0.41) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL29978387 0.88 HDAC4 (0.50) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL29978380 0.86 HDAC4 (0.39) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL29978909 0.86 HDAC4 (0.48) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL29978216 0.85 HDAC4 (0.42) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL29977915 0.85 HDAC4 (0.40) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL29978336 0.85 HDAC6 (0.44) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL29978152 0.84 ALDH1A1 (0.47) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL29978038 0.84 HPGD (0.49) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL29978582 0.83 HDAC4 (0.50) HDAC4HDAC6HDAC8HDAC2HDAC1

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