SCHEMBL2585643

SCHEMBL2585643

Cc1ccc(S(=O)(=O)N2CCc3onc(C(=O)NC4CCN(Cc5c(Cl)cccc5Cl)C4)c3C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.42
PKM P14618 2/20 0.40
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
SMYD3 Q9H7B4 3/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 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
SCHEMBL2581672 0.79 DRD4 (0.53) LMNA
SCHEMBL2585658 0.79 CCR2 (0.46) SMYD3
SCHEMBL2576007 0.74 ALDH1A1 (0.59) MEN1KMT2AALDH1A1LMNATSHR
SCHEMBL2586740 0.73 MAPT (0.53) MEN1KMT2AALDH1A1LMNATSHR
SCHEMBL4268544 0.73 CD4 (0.45) KMT2AALDH1A1PKMGAA
SCHEMBL5539258 0.71 KMT2A (0.43) MEN1KMT2AALDH1A1LMNAPKM
SCHEMBL2576115 0.70 LMNA (0.52) MEN1KMT2AALDH1A1LMNAPKM
SCHEMBL2584665 0.70 NPC1 (0.48) MEN1KMT2APKMTSHRSMN1; SMN2
SCHEMBL2581162 0.69 RAB9A (0.58) MEN1KMT2AALDH1A1PKMSMN1; SMN2
SCHEMBL2586164 0.69 MAPT (0.43) MEN1KMT2AALDH1A1LMNATSHR

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-8048879-B2 Substituted 4,5,6,7-tetrahydro-isoxazolo[4,5-c]pyridine compounds and use thereof for producing medicaments GRUENENTHAL GMBH (DE) 2011-11-01 US claimed