SCHEMBL29977987

SCHEMBL29977987

O=C(c1cccc(F)c1)N1CCc2sc(-c3noc(C(F)(F)F)n3)cc2C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 1/20 0.50
GRM5 P41594 6/20 0.46
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
HDAC4 P56524 5/20 0.43
HDAC6 Q9UBN7 4/20 0.43
HDAC8 Q9BY41 3/20 0.43
HDAC2 Q92769 1/20 0.43
KCNH2 Q12809 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HDAC1 Q13547 1/20 0.41
MEN1 O00255 1/20 0.40

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
SCHEMBL29978514 0.91 GRM5 (0.46) GRM5HDAC4HDAC6HDAC8HDAC2
SCHEMBL29978387 0.91 HDAC4 (0.50) GRM5PRMT5WDR77HDAC4HDAC6
SCHEMBL29978176 0.90 GRM5 (0.45) HPGDGRM5HDAC4HDAC6HDAC8
SCHEMBL29977967 0.90 HDAC4 (0.50) PRMT5WDR77HDAC4HDAC6HDAC8
SCHEMBL29978183 0.88 GRM5 (0.47) ALDH1A1HPGDGRM5HDAC4HDAC6
SCHEMBL29978909 0.87 HDAC4 (0.48) PRMT5WDR77HDAC4HDAC6HDAC8
SCHEMBL29978177 0.86 MEN1 (0.41) SMN1; SMN2ALDH1A1HDAC4HDAC6HDAC8
SCHEMBL29978038 0.86 HPGD (0.49) HPGDHDAC4HDAC6HDAC8HDAC2
SCHEMBL29978914 0.86 HDAC4 (0.50) PRMT5WDR77HDAC4HDAC6HDAC8
SCHEMBL29978582 0.86 HDAC4 (0.50) HPGDPRMT5WDR77HDAC4HDAC6

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