SCHEMBL21788884

SCHEMBL21788884

COC(=O)C(NCc1ccc(Cl)cc1)c1ccc(C)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
RAB9A P51151 5/20 0.50
NPC1 O15118 3/20 0.50
CNR2 P34972 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.47
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 1/20 0.44
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
HTT P42858 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL21777362 0.94 MEN1 (0.58) MEN1KMT2AL3MBTL1RAB9ACNR2
SCHEMBL10572282 0.87 KMT2A (0.70) MEN1KMT2AALDH1A1MAPK1TDP1
SCHEMBL21777490 0.81 MEN1 (0.61) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL15383227 0.76 CYP2C19 (0.50) MEN1KMT2AL3MBTL1RAB9ATDP1
SCHEMBL8231068 0.76 CYP2C19 (0.50) MEN1KMT2AL3MBTL1RAB9ATDP1
SCHEMBL31173505 0.76 KMT2A (0.85) MEN1KMT2AL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL1695916 0.76 KMT2A (0.85) MEN1KMT2AL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL8190393 0.75 L3MBTL1 (0.48) MEN1KMT2AL3MBTL1ALDH1A1TDP1
SCHEMBL10833631 0.75 L3MBTL1 (0.64) MEN1KMT2AL3MBTL1RAB9ANPC1
SCHEMBL6386453 0.74 KMT2A (0.72) MEN1KMT2AL3MBTL1SMN1; SMN2MAPT

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
WO-2020047447-A1 CARDIAC SARCOMERE INHIBITORS CYTOKINETICS, INC. (US) 2020-03-05 WO disclosed