SCHEMBL20157438

SCHEMBL20157438

C=Cc1cc(CC2(C(=O)OCC)CCN(c3ccccc3C#N)CC2)c(C)cc1C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
LMNA P02545 2/20 0.39
GAA P10253 2/20 0.39
RAB9A P51151 3/20 0.39
POLB P06746 1/20 0.38
DRD4 P21917 1/20 0.38
NPC1 O15118 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
RET P07949 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL20157436 0.92 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1LMNAGAA
SCHEMBL20141633 0.87 DRD4 (0.46) ALDH1A1KMT2AMEN1LMNAGAA
SCHEMBL20139931 0.85 LMNA (0.43) ALDH1A1KMT2AMEN1LMNAGAA
SCHEMBL20157437 0.83 MTOR (0.45) ALDH1A1KMT2AMEN1LMNARAB9A
SCHEMBL20156839 0.80 RET (0.37) ALDH1A1LMNADRD4RET
SCHEMBL20156841 0.76 DRD4 (0.51) ALDH1A1LMNADRD4
SCHEMBL20157090 0.74 DRD4 (0.47) ALDH1A1LMNADRD4
SCHEMBL8415328 0.74 DRD4 (0.46) ALDH1A1GAADRD4L3MBTL1
SCHEMBL20156840 0.72 RET (0.39) ALDH1A1LMNADRD4RET
SCHEMBL20156796 0.72 MTOR (0.47) ALDH1A1DRD4

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