SCHEMBL25447261

SCHEMBL25447261

O=C(NCCc1ccc(Cl)cc1)c1cc(Cl)nnc1Sc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
LMNA P02545 1/20 0.56
CA2 P00918 1/20 0.53
CA4 P22748 1/20 0.53
TP53 P04637 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.48
KMT2A Q03164 3/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 1/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 1/20 0.45

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
SCHEMBL25447285 0.94 MAPT (0.50) MAPTLMNACA2CA4TP53
SCHEMBL25447454 0.94 CA2 (0.59) MAPTLMNACA2CA4TP53
SCHEMBL25446940 0.94 MAPT (0.48) MAPTLMNACA2CA4TP53
SCHEMBL25447366 0.91 CA2 (0.52) MAPTLMNACA2CA4TP53
SCHEMBL25446939 0.91 CA2 (0.52) MAPTLMNACA2CA4TP53
SCHEMBL25447351 0.89 NPC1 (0.49) MAPTLMNACA2CA4TP53
SCHEMBL25447207 0.89 TDP1 (0.53) MAPTLMNACA2CA4TP53
SCHEMBL25446970 0.89 KMT2A (0.63) MAPTLMNACA2CA4TP53
SCHEMBL25447001 0.88 NPC1 (0.52) MAPTCA2CA4TP53SMN1; SMN2
SCHEMBL25447235 0.88 LMNA (0.43) MAPTLMNACA2CA4TP53

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