SCHEMBL25447285

SCHEMBL25447285

O=C(NCCc1ccc(Cl)cc1)c1cc(Cl)nnc1Sc1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
LMNA P02545 2/20 0.50
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
GAA P10253 1/20 0.46
CYP2C19 P33261 1/20 0.46
GFER P55789 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
TP53 P04637 2/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
EGLN1 Q9GZT9 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44

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
SCHEMBL25447207 0.94 TDP1 (0.53) MAPTLMNANPC1RAB9ACYP1A2
SCHEMBL25447261 0.94 MAPT (0.56) MAPTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL25447235 0.93 LMNA (0.43) MAPTLMNANPC1RAB9ACA2
SCHEMBL25446942 0.92 ALDH1A1 (0.56) MAPTCYP1A2CYP2D6GAACYP2C19
SCHEMBL25447260 0.90 ALDH1A1 (0.50) MAPTLMNANPC1RAB9AGAA
SCHEMBL25447185 0.90 LMNA (0.55) MAPTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL25447454 0.88 CA2 (0.59) MAPTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL25447351 0.88 NPC1 (0.49) MAPTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL25446940 0.88 MAPT (0.48) MAPTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL25447186 0.87 SMN1; SMN2 (0.53) MAPTLMNANPC1RAB9ASMN1; SMN2

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