SCHEMBL20141023

SCHEMBL20141023

COc1ccccc1N(c1cc(C(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)c(C)cc1C)C1CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EED O75530 1/20 0.45
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 3/20 0.41
HTT P42858 2/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
POLB P06746 2/20 0.39
GAA P10253 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL20141741 0.88 MTOR (0.42) EEDALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL20141150 0.87 CA12 (0.40) EEDALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL20141228 0.84 MTOR (0.45) EEDCA12CA1CA2CA9
SCHEMBL20140814 0.84 MTOR (0.45) EEDALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL20141317 0.82 MTOR (0.46) MAPTHTTCA12CA1CA2
SCHEMBL20141403 0.82 MTOR (0.43) MAPTHTTLMNATSHR
SCHEMBL20141024 0.81 MTOR (0.46) EEDALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL20141263 0.80 MTOR (0.46) MAPTHTTCA12CA1CA2
SCHEMBL20140851 0.79 MTOR (0.44) ALDH1A1SMN1; SMN2MAPTHTTCA12
SCHEMBL20141169 0.78 MTOR (0.45) ALDH1A1SMN1; SMN2MAPTHTTCA12

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
EP-3538091-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF Navitor Pharmaceuticals, Inc. (US) 2019-09-18 EP disclosed
WO-2018089499-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed