SCHEMBL25447235

SCHEMBL25447235

O=C(NCCCc1ccc(Cl)cc1)c1cc(Cl)nnc1Sc1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MCL1 Q07820 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 2/20 0.41
SLC6A5 Q9Y345 1/20 0.41
TP53 P04637 2/20 0.40
POLB P06746 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CNR1 P21554 1/20 0.39

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
SCHEMBL25446940 0.95 MAPT (0.48) LMNAMAPTNPC1RAB9AMCL1
SCHEMBL25447351 0.95 NPC1 (0.49) LMNAMAPTNPC1RAB9AMCL1
SCHEMBL25447285 0.93 MAPT (0.50) LMNAMAPTNPC1RAB9AL3MBTL1
SCHEMBL25447412 0.92 CNR1 (0.43) LMNAMAPTMCL1MEN1KMT2A
SCHEMBL25447001 0.89 NPC1 (0.52) MAPTNPC1RAB9AMCL1MEN1
SCHEMBL25447207 0.88 TDP1 (0.53) LMNAMAPTNPC1RAB9ATP53
SCHEMBL25447261 0.88 MAPT (0.56) LMNAMAPTNPC1RAB9AMEN1
SCHEMBL25446942 0.85 ALDH1A1 (0.56) MAPTMEN1KMT2AALDH1A1TP53
SCHEMBL25447260 0.84 ALDH1A1 (0.50) LMNAMAPTNPC1RAB9AL3MBTL1
SCHEMBL25447454 0.81 CA2 (0.59) LMNAMAPTNPC1RAB9AL3MBTL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023078915-A1 BIS(HETERO)ARYL THIOETHER (THIO)AMIDES AS FUNGICIDAL COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2023-05-11 WO disclosed