SCHEMBL20139977

SCHEMBL20139977

Cc1cc(C)c(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1Br

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.49
LMNA P02545 1/20 0.48
EPHX2 P34913 2/20 0.47
STS P08842 10/20 0.47
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
PTPN6 P29350 1/20 0.47
HPGD P15428 1/20 0.47
RECQL P46063 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
GPR119 Q8TDV5 1/20 0.44

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
SCHEMBL16501440 0.81 KMT2A (0.56) KMT2ALMNAEPHX2STSPTPN2
SCHEMBL13261261 0.80 STS (0.54) KMT2ASTSPTPN2PTPN1PTPN6
SCHEMBL3711728 0.80 STS (0.57) KMT2ASTSPTPN2PTPN1PTPN6
SCHEMBL18183705 0.79 PTPN2 (0.48) KMT2ASTSPTPN2PTPN1PTPN6
SCHEMBL21633596 0.78 STS (0.51) KMT2AEPHX2STSPTPN2PTPN1
SCHEMBL2963673 0.77 STS (0.48) KMT2AEPHX2STSPTPN2PTPN1
SCHEMBL4235957 0.77 MGLL (0.56) KMT2ASTSPTPN2PTPN1PTPN6
SCHEMBL25452815 0.76 STS (0.51) KMT2ASTSPTPN2PTPN1PTPN6
SCHEMBL17495365 0.76 USP30 (0.50) KMT2ASTSPTPN2PTPN1PTPN6
SCHEMBL13261291 0.76 GPR119 (0.52) KMT2AEPHX2STSPTPN2PTPN1

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