SCHEMBL20141391

SCHEMBL20141391

COC(=O)c1cc(C=C2CCN(C(=O)OC(C)(C)C)CC2)ccc1C.COC(=O)c1cc(CC2=CCN(C(=O)OC(C)(C)C)CC2)ccc1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
LMNA P02545 1/20 0.35
WNT3A P56704 1/20 0.34
GRM5 P41594 4/20 0.34
GRM1 Q13255 2/20 0.34
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
EED O75530 1/20 0.34
RBBP4 Q09028 1/20 0.34
SUZ12 Q15022 1/20 0.34
EZH2 Q15910 1/20 0.34
AEBP2 Q6ZN18 1/20 0.34
NAMPT P43490 1/20 0.33
JAK1 P23458 1/20 0.33
PDK4 Q16654 1/20 0.33
GNRHR P30968 1/20 0.33
KIT P10721 1/20 0.33
PARP1 P09874 1/20 0.33
ABCB1 P08183 1/20 0.33

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
SCHEMBL20140065 0.87 LMNA (0.43) MEN1KMT2ALMNAGRM5EED
SCHEMBL20157093 0.76 GRM5 (0.38) LMNAWNT3AGRM5GRM1EED
SCHEMBL16991986 0.76 ABCB1 (0.43) GRM5EEDRBBP4SUZ12EZH2
SCHEMBL29826188 0.73 GRM5 (0.44) WNT3AGRM5GRM1CCNT1CDK9
SCHEMBL20140796 0.73 EED (0.43) MEN1KMT2ALMNAGRM5EED
SCHEMBL25487258 0.72 ALDH1A1 (0.53) MEN1KMT2ALMNACYP2C19SMN1; SMN2
SCHEMBL29826797 0.72 HTT (0.50) KMT2ALMNAGRM5GRM1NAMPT
SCHEMBL1602307 0.71 OGA (0.46) MEN1KMT2ALMNAGRM5NR1H2
SCHEMBL18321407 0.71 PDK4 (0.44) GRM5GRM1NAMPTPDK4NR1H2
SCHEMBL20140685 0.70 EED (0.48) LMNAEEDRBBP4SUZ12EZH2

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-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed