SCHEMBL11375504

SCHEMBL11375504

O=C(CCCl)N1c2ccccc2[S+]([O-])c2ccc(Cl)cc21

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 4/20 0.44
▸ ACHE P22303 4/20 0.44
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40

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
SCHEMBL24439313 0.81 HSD17B3 (0.41) BCHEACHEMAPT
SCHEMBL11375594 0.81 KMT2A (0.40) BCHEACHEMEN1KMT2AALDH1A1
SCHEMBL11158189 0.80 MEN1 (0.40) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL11377926 0.79 KMT2A (0.40) BCHEACHEMEN1KMT2AALDH1A1
SCHEMBL11376111 0.79 F10 (0.41) BCHEACHEMEN1KMT2AALDH1A1
SCHEMBL11377952 0.79 MEN1 (0.45) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL11372430 0.79 EGLN3 (0.47) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL11369729 0.78 BCHE (0.38) BCHEACHELMNA
SCHEMBL11384247 0.77 NR1I3 (0.42) —
SCHEMBL11376603 0.77 F10 (0.41) BCHEACHEMEN1KMT2AALDH1A1

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
US-4289768-A HYPOTENSIVE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1981-09-15 — — US disclosed
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