SCHEMBL20156934

SCHEMBL20156934

C=C(c1ccc(C)c(CC)c1)N(CCC)CCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.40
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
MLYCD O95822 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
TP53 P04637 1/20 0.36
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
LMNA P02545 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ESR1 P03372 2/20 0.33
GRM1 Q13255 1/20 0.32

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
SCHEMBL23252673 0.81 HSP90AA1 (0.58) HPGDHSP90AA1HSP90AB1MLYCDGABRA1
SCHEMBL20157077 0.78 TP53 (0.37) HPGDMLYCDGABRA1GABRB2TP53
SCHEMBL8282807 0.77 MLYCD (0.39) HPGDMLYCDTP53EGFRERBB2
SCHEMBL20157264 0.76 TP53 (0.38) HPGDHSP90AA1HSP90AB1MLYCDGABRA1
SCHEMBL22065201 0.74 TDP1 (0.42) HPGDALDH1A1MEN1KMT2AGAA
SCHEMBL20157110 0.74 HPGD (0.36) HPGDMLYCDTP53LMNASMN1; SMN2
SCHEMBL20157023 0.72 TP53 (0.35) HPGDMLYCDGABRA1GABRB2TP53
SCHEMBL22066370 0.72 TDP1 (0.41) HPGDLMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL21078085 0.71 TP53 (0.47) HPGDTP53EGFRLMNASMN1; SMN2
SCHEMBL3258577 0.71 ALDH1A1 (0.52) TP53SMN1; SMN2ALDH1A1MEN1KMT2A

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