SCHEMBL11376111

SCHEMBL11376111

Cc1nccn1CCC(=O)N1c2ccccc2[S+]([O-])c2ccc(Cl)cc21

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 5/20 0.41
▸ KMT2A Q03164 5/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ RAB9A P51151 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ BCHE P06276 2/20 0.38
▸ ACHE P22303 2/20 0.38

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
SCHEMBL11376603 0.94 F10 (0.41) F10KMT2AMEN1ALDH1A1LMNA
SCHEMBL11381139 0.91 ALDH1A1 (0.44) KMT2AMEN1ALDH1A1LMNARAB9A
SCHEMBL11375869 0.84 P2RX7 (0.42) F10KMT2AMEN1ALDH1A1LMNA
SCHEMBL11375594 0.81 KMT2A (0.40) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL11153941 0.81 ALDH1A1 (0.63) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL11372430 0.80 EGLN3 (0.47) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL11158189 0.80 MEN1 (0.40) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL11371213 0.80 NOS1 (0.43) ALDH1A1MAPTKDM4E
SCHEMBL11377512 0.79 KMT2A (0.44) F10KMT2AMEN1ALDH1A1LMNA
SCHEMBL11375504 0.79 BCHE (0.44) KMT2AMEN1ALDH1A1LMNAMAPT

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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