SCHEMBL29977951

SCHEMBL29977951

O=C(CN1CCc2sc(-c3noc(C(F)(F)F)n3)cc2C1)Nc1ccc(Cl)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.40
LMNA P02545 6/20 0.40
TP53 P04637 2/20 0.40
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NOD1 Q9Y239 1/20 0.39
HDAC4 P56524 3/20 0.38
GAA P10253 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 2/20 0.38
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 3/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
HDAC3 O15379 1/20 0.37

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
SCHEMBL29978367 0.93 SMN1; SMN2 (0.43) MAPTLMNATP53HDAC4SMN1; SMN2
SCHEMBL29978122 0.90 PRMT5 (0.44) MAPTLMNATP53HPGDTDP1
SCHEMBL29977954 0.89 KMT2A (0.47) MAPTLMNAHDAC4SMN1; SMN2HTT
SCHEMBL29978125 0.89 KMT2A (0.48) MAPTHDAC4ALDH1A1KDM4EPOLB
SCHEMBL29978433 0.89 HDAC4 (0.41) MAPTHDAC4ALDH1A1NPSR1MEN1
SCHEMBL29978399 0.88 HDAC4 (0.45) MAPTLMNAHDAC4SMN1; SMN2ALDH1A1
SCHEMBL29978163 0.87 PRMT5 (0.44) MAPTLMNATP53TDP1HDAC4
SCHEMBL29978226 0.87 L3MBTL1 (0.52) MAPTLMNAHPGDHDAC4GAA
SCHEMBL29978285 0.86 HDAC4 (0.40) MAPTHDAC4ALDH1A1KDM4EPOLB
SCHEMBL29978357 0.85 HDAC4 (0.49) LMNAHDAC4SMN1; SMN2POLBUSP2

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