SCHEMBL20140717

SCHEMBL20140717

Cn1cc([CH]c2ccccc2Cl)cc1C(=O)N1CCN(c2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
POLB P06746 4/20 0.49
MEN1 O00255 4/20 0.49
THRB P10828 1/20 0.48
MTOR P42345 1/20 0.47
RPTOR Q8N122 1/20 0.47
MLST8 Q9BVC4 1/20 0.47
HSP90AA1 P07900 1/20 0.46
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TSHR P16473 3/20 0.44
USP2 O75604 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
ATM Q13315 1/20 0.43
SLC6A7 Q99884 1/20 0.43
APOBEC3A P31941 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43

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
SCHEMBL20139683 0.83 KMT2A (0.51) KMT2APOLBMEN1THRBALDH1A1
SCHEMBL20139281 0.76 POLB (0.52) KMT2APOLBMEN1THRBALDH1A1
SCHEMBL20159024 0.74 MTOR (0.64) KMT2APOLBMEN1MTORRPTOR
SCHEMBL20159302 0.73 TP53 (0.53) KMT2APOLBMEN1ALDH1A1SMN1; SMN2
SCHEMBL20139786 0.73 MTOR (0.51) KMT2APOLBMEN1THRBMTOR
SCHEMBL20139225 0.70 MTOR (0.50) KMT2AMTORRPTORMLST8
SCHEMBL5658689 0.69 USP2 (0.78) KMT2AMEN1ALDH1A1SMN1; SMN2TSHR
SCHEMBL20142393 0.69 MEN1 (0.56) KMT2APOLBMEN1THRBALDH1A1
SCHEMBL20140555 0.67 MTOR (0.78) KMT2APOLBMEN1MTORRPTOR
SCHEMBL20159115 0.67 MTOR (0.55) POLBMTORRPTORMLST8SMN1; SMN2

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-2018089493-A1 PYRROLE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed