SCHEMBL20157346

SCHEMBL20157346

C=C/N=C(\C)N1CCN(Cc2ccc(C)c(C(=O)N3CCN(C(=C)/N=C(\C)C#N)CC3)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 2/20 0.38
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
FAAH O00519 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HSD17B10 Q99714 2/20 0.34
MAPT P10636 1/20 0.34
LMNA P02545 1/20 0.33

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
SCHEMBL20156901 0.90 HTT (0.41) HTTALDH1A1KDM4EKMT2AMEN1
SCHEMBL20156905 0.86 HTT (0.42) HTTALDH1A1KDM4EKMT2AMEN1
SCHEMBL20157328 0.85 HTT (0.40) HTTALDH1A1KDM4EKMT2AMEN1
SCHEMBL20156899 0.84 KDM4E (0.38) HTTALDH1A1KDM4EKMT2AMEN1
SCHEMBL20157036 0.83 HTT (0.43) HTTALDH1A1KDM4EKMT2AMEN1
SCHEMBL20157029 0.83 ALDH1A1 (0.40) HTTALDH1A1KDM4EKMT2AMEN1
SCHEMBL20157027 0.75 HTT (0.38) HTTALDH1A1KDM4EKMT2AMEN1
SCHEMBL20157031 0.74 HTT (0.35) HTTALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL20157210 0.70 KDM4E (0.43) HTTALDH1A1KDM4EKMT2AMEN1
SCHEMBL20156900 0.70 HTT (0.34) HTTALDH1A1SMN1; SMN2FAAHLMNA

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