SCHEMBL29979015

SCHEMBL29979015

O=C(Nc1ccc(Cl)cc1)N1CCc2cc(-c3noc(C(F)(F)F)n3)sc2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
GAA P10253 1/20 0.47
LMNA P02545 3/20 0.44
HTT P42858 3/20 0.44
TSHR P16473 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HDAC4 P56524 6/20 0.40
HDAC6 Q9UBN7 3/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
NAMPT P43490 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
NPC1 O15118 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
SCHEMBL29977966 0.93 NAMPT (0.43) MAPTNPSR1HDAC4HDAC6NAMPT
SCHEMBL29978402 0.93 NPC1 (0.47) MEN1KMT2AGAALMNAHTT
SCHEMBL29978321 0.93 MEN1 (0.47) MEN1KMT2AGAALMNAHTT
SCHEMBL29979201 0.92 GPR142 (0.45) MEN1KMT2AGAALMNAHTT
SCHEMBL29978688 0.92 RAB9A (0.46) ALDH1A1MAPTSMN1; SMN2HDAC4HDAC6
SCHEMBL29977979 0.92 HDAC4 (0.47) MEN1KMT2AGAALMNASMN1; SMN2
SCHEMBL29978739 0.91 IDO1 (0.39) MEN1KMT2AGAALMNAHTT
SCHEMBL29977836 0.91 KMT2A (0.39) MEN1KMT2AGAALMNAHTT
SCHEMBL29978134 0.90 EPHX2 (0.45) MAPTNAMPTKDM4ETRPV1
SCHEMBL29977864 0.88 DGAT1 (0.40) HDAC4HDAC6TAS1R3TAS1R1TAS1R2

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