SCHEMBL4641601

SCHEMBL4641601

Cc1ccc(-c2ccc(OC(=O)Nc3ccc4nc(N(C)CCN(C)C)sc4c3)cc2)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TMPRSS15 P98073 3/20 0.42
TP53 P04637 3/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
RECQL P46063 1/20 0.41
MCHR1 Q99705 6/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
THRB P10828 1/20 0.41
RORC P51449 1/20 0.41
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL4643038 0.92 MCHR1 (0.48) MAPTMEN1KMT2ATMPRSS15MCHR1
SCHEMBL4641593 0.92 MAPT (0.46) MAPTMEN1KMT2ATMPRSS15TP53
SCHEMBL4644016 0.92 ALDH1A1 (0.43) MAPTKMT2ATMPRSS15TP53LMNA
SCHEMBL4647199 0.91 MCHR1 (0.46) MAPTTMPRSS15LMNAMCHR1
SCHEMBL5252975 0.87 MCHR1 (0.51) MAPTMEN1KMT2ATP53LMNA
SCHEMBL4643578 0.86 MCHR1 (0.44) MAPTMEN1KMT2ATMPRSS15MCHR1
SCHEMBL4641355 0.86 ALDH1A1 (0.44) MAPTMEN1KMT2ATMPRSS15TP53
SCHEMBL4641244 0.85 ALDH1A1 (0.45) MAPTKMT2ATMPRSS15TP53LMNA
SCHEMBL4641406 0.85 MAPT (0.42) MAPTMEN1KMT2ATMPRSS15LMNA
SCHEMBL4643026 0.85 MCHR1 (0.42) MAPTMEN1KMT2ATMPRSS15LMNA

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
EP-1828177-B1 NOVEL MCH RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-08-13 EP claimed