SCHEMBL20156902

SCHEMBL20156902

C=C(C)/C=N\C(=C/C)N1CCN(C(=O)c2cc(CN3CCN(/C(=C/C=C\C)C(=C)C)CC3)ccc2C)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 3/20 0.35
HTT P42858 2/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
FAAH O00519 1/20 0.34
POLB P06746 2/20 0.33
CYP46A1 Q9Y6A2 1/20 0.33
PARP1 P09874 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
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
SCHEMBL20157025 0.80 MEN1 (0.34) ALDH1A1KDM4EHTTMEN1KMT2A
SCHEMBL20157195 0.76 GRIN2B (0.39) ALDH1A1KDM4EHTTMEN1KMT2A
SCHEMBL20157044 0.72 GRIN2B (0.35) ALDH1A1KDM4EHTTMEN1KMT2A
SCHEMBL20157045 0.71 GRIN2B (0.34) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL20157328 0.70 HTT (0.40) ALDH1A1KDM4EHTTMEN1KMT2A
SCHEMBL20157312 0.69 GRIN2B (0.33) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL20157210 0.69 KDM4E (0.43) ALDH1A1KDM4EHTTMEN1KMT2A
SCHEMBL20157036 0.69 HTT (0.43) ALDH1A1KDM4EHTTMEN1KMT2A
SCHEMBL20156905 0.68 HTT (0.42) ALDH1A1KDM4EHTTMEN1KMT2A
SCHEMBL20157027 0.68 HTT (0.38) ALDH1A1KDM4EHTTMEN1KMT2A

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