SCHEMBL20141150

SCHEMBL20141150

COc1cccc(N(c2cc(C(=O)N3CCN(c4ccccc4S(N)(=O)=O)CC3)c(C)cc2C)C2CCNCC2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.40
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
CA9 Q16790 4/20 0.40
MAPT P10636 3/20 0.39
HSD17B10 Q99714 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
EED O75530 1/20 0.38
RBP4 P02753 1/20 0.36
CCR5 P51681 1/20 0.36
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 2/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL20141023 0.87 EED (0.45) CA12CA1CA2CA9MAPT
SCHEMBL20141741 0.79 MTOR (0.42) MAPTHSD17B10SMN1; SMN2EEDLMNA
SCHEMBL20140851 0.79 MTOR (0.44) CA12CA1CA2CA9MAPT
SCHEMBL20141228 0.78 MTOR (0.45) CA12CA1CA2CA9EED
SCHEMBL20140814 0.78 MTOR (0.45) CA12CA1CA2CA9MAPT
SCHEMBL20140944 0.77 OPRM1 (0.40)
SCHEMBL20141215 0.76 HTR2C (0.39)
SCHEMBL20141317 0.76 MTOR (0.46) CA12CA1CA2CA9MAPT
SCHEMBL20141403 0.76 MTOR (0.43) MAPTLMNATSHRMTORRPTOR
SCHEMBL20141164 0.76 MTOR (0.46) MAPTLMNAALDH1A1TSHRTP53

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