SCHEMBL20157110

SCHEMBL20157110

C=C(CC)c1cc(C(=C)N(CC)CCC)ccc1C

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.36
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.31
MLYCD O95822 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL20157023 0.76 TP53 (0.35) HPGDLMNASMN1; SMN2TP53MLYCD
SCHEMBL22538519 0.75 KCNH2 (0.38) HPGDLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL20156934 0.74 HPGD (0.40) HPGDLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL20157098 0.72 ALDH1A1 (0.32) HPGDLMNATP53KDM4EALDH1A1
SCHEMBL8282807 0.71 MLYCD (0.39) HPGDLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL22065201 0.69 TDP1 (0.42) HPGDMEN1KMT2ATSHRALDH1A1
SCHEMBL18432578 0.67 PRSS1 (0.40) HPGDLMNAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL22066370 0.67 TDP1 (0.41) HPGDLMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL18767254 0.66 HPGD (0.51) HPGDLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL21078085 0.66 TP53 (0.47) HPGDLMNAMEN1KMT2ASMN1; 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-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed