SCHEMBL20157029

SCHEMBL20157029

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

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HTT P42858 2/20 0.40
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
FAAH O00519 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
SCHEMBL20156905 0.87 HTT (0.42) ALDH1A1KDM4EHTTTSHRSMN1; SMN2
SCHEMBL20157036 0.85 HTT (0.43) ALDH1A1KDM4EHTTTSHRSMN1; SMN2
SCHEMBL20156901 0.85 HTT (0.41) ALDH1A1KDM4EHTTTSHRSMN1; SMN2
SCHEMBL20157328 0.84 HTT (0.40) ALDH1A1KDM4EHTTTSHRSMN1; SMN2
SCHEMBL20157346 0.83 HTT (0.38) ALDH1A1KDM4EHTTTSHRSMN1; SMN2
SCHEMBL20157027 0.75 HTT (0.38) ALDH1A1KDM4EHTTSMN1; SMN2MEN1
SCHEMBL20157031 0.74 HTT (0.35) ALDH1A1KDM4EHTTSMN1; SMN2KMT2A
SCHEMBL20157210 0.72 KDM4E (0.43) ALDH1A1KDM4EHTTMEN1KMT2A
SCHEMBL20156899 0.72 KDM4E (0.38) ALDH1A1KDM4EHTTTSHRSMN1; SMN2
SCHEMBL20157535 0.71 HTT (0.36) ALDH1A1HTTSMN1; SMN2KMT2AHRH3

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