SCHEMBL29979201

SCHEMBL29979201

O=C(Nc1ccc(Cl)c(Cl)c1)N1CCc2cc(-c3noc(C(F)(F)F)n3)sc2C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR142 Q7Z601 4/20 0.45
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
LMNA P02545 3/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 2/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
TRPV1 Q8NER1 2/20 0.40
CYP2D6 P10635 2/20 0.39
CNR2 P34972 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
TSHR P16473 2/20 0.38
HDAC4 P56524 2/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 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
SCHEMBL29979015 0.92 MEN1 (0.47) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL29977966 0.89 NAMPT (0.43) MAPTTRPV1HDAC4NPSR1HDAC6
SCHEMBL29978402 0.89 NPC1 (0.47) GPR142MEN1KMT2ALMNAMAPT
SCHEMBL29978688 0.88 RAB9A (0.46) MAPTALDH1A1NPC1RAB9AHDAC4
SCHEMBL29977979 0.88 HDAC4 (0.47) MEN1KMT2ALMNANPC1RAB9A
SCHEMBL29977864 0.87 DGAT1 (0.40) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL29977836 0.86 KMT2A (0.39) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL29978750 0.86 POLB (0.46) MAPTNPC1RAB9AHDAC4SMN1; SMN2
SCHEMBL29978286 0.86 CYP3A4 (0.44) GPR142MEN1KMT2ALMNAMAPT
SCHEMBL29978134 0.86 EPHX2 (0.45) MAPTTRPV1CYP2C19

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