SCHEMBL4022580

SCHEMBL4022580

COC(=O)c1cccc(C(=O)C2CN(CC(=O)N(C)C)CC(C(=O)c3cccc(C(N)=O)c3)C2c2cccc(F)c2C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
AAK1 Q2M2I8 1/20 0.34
RBP4 P02753 1/20 0.33
IL2 P60568 1/20 0.33
GRM2 Q14416 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
PARP10 Q53GL7 1/20 0.32
GAA P10253 1/20 0.32
INSR P06213 1/20 0.32
ALK Q9UM73 1/20 0.32
EED O75530 1/20 0.32
OPRM1 P35372 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TP53 P04637 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31

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
SCHEMBL4022581 1.00 ALDH1A1 (0.35) ALDH1A1MEN1KMT2AAAK1RBP4
SCHEMBL4024037 0.96 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AAAK1RBP4
SCHEMBL4024035 0.96 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AAAK1RBP4
SCHEMBL4749448 0.94 EED (0.34) ALDH1A1MEN1KMT2APARP10EED
SCHEMBL4022374 0.90 KDM4E (0.37) ALDH1A1PARP10EEDOPRM1
SCHEMBL4022370 0.90 KDM4E (0.37) ALDH1A1PARP10EEDOPRM1
SCHEMBL5634573 0.88 ALDH1A1 (0.34) ALDH1A1MEN1KMT2AAAK1RBP4
SCHEMBL5635105 0.86 EED (0.31) ALDH1A1EEDOPRM1
SCHEMBL4027956 0.85 KDM2B (0.43) ALDH1A1MEN1KMT2AL3MBTL1LMNA
SCHEMBL4027951 0.85 KDM2B (0.43) ALDH1A1MEN1KMT2AL3MBTL1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572814-B2 3,5-dibenzoyl-4-phenyl-piperidine anti-cancer compounds CYTOKINETICS, INCORPORATED (US) 2009-08-11 US claimed
US-7572814-B2 3,5-dibenzoyl-4-phenyl-piperidine anti-cancer compounds CYTOKINETICS, INCORPORATED (US) 2009-08-11 US disclosed