SCHEMBL20141253

SCHEMBL20141253

Cc1cc(C)c(N(c2ccccc2Cl)C2CCNCC2)cc1C(=O)N1CCN(c2cccc(S(N)(=O)=O)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
CA12 O43570 7/20 0.41
CA1 P00915 7/20 0.41
CA2 P00918 7/20 0.41
CA9 Q16790 7/20 0.41
CA7 P43166 2/20 0.40
CA14 Q9ULX7 2/20 0.40
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
HTT P42858 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CNR1 P21554 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
HSP90AA1 P07900 1/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL20141054 0.79 MTOR (0.48) ALDH1A1SMN1; SMN2TP53HSP90AA1LMNA
SCHEMBL20141624 0.78 KDM4E (0.42) ALDH1A1SMN1; SMN2TP53HTTLMNA
SCHEMBL20141023 0.75 EED (0.45) TSHRCA12CA1CA2CA9
SCHEMBL20133559 0.75 MTOR (0.54) CA12CA1CA2CA9CA7
SCHEMBL20141263 0.73 MTOR (0.46) TSHRCA12CA1CA2CA9
SCHEMBL20141150 0.72 CA12 (0.40) TSHRCA12CA1CA2CA9
SCHEMBL20140929 0.72 MTOR (0.57) CA12CA1CA2CA9ALDH1A1
SCHEMBL20141228 0.71 MTOR (0.45) CA12CA1CA2CA9LMNA
SCHEMBL20140814 0.70 MTOR (0.45) CA12CA1CA2CA9ALDH1A1
SCHEMBL20141164 0.70 MTOR (0.46) TSHRALDH1A1TP53LMNA

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