SCHEMBL20157537

SCHEMBL20157537

C=C(c1cc(CN2CCN(C3=CCCC=C3C#N)CC2)ccc1C)N(CCC)CCC

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 1/20 0.32
HRH3 Q9Y5N1 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HTT P42858 1/20 0.32
CHKA P35790 2/20 0.31
PARP1 P09874 1/20 0.30
HTR7 P34969 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
SCHEMBL20156912 0.70 FAAH (0.38) ALDH1A1LMNAKMT2APOLBKDM4E
SCHEMBL20157171 0.70 GRM1 (0.43) ALDH1A1MEN1KMT2AKDM4ENPSR1
SCHEMBL20157214 0.62 SLC6A7 (0.36) ALDH1A1MEN1HPGDKMT2AHSD17B10
SCHEMBL20139955 0.61 KDM4E (0.52) ALDH1A1LMNAKDM4ENPSR1HTR7
SCHEMBL20141481 0.61 KDM4E (0.51) ALDH1A1LMNAKDM4ENPSR1HTR7
SCHEMBL20140044 0.60 MTOR (0.54) ALDH1A1MEN1KMT2AKDM4ENPSR1
SCHEMBL20157023 0.59 TP53 (0.35) ALDH1A1LMNAHPGDKDM4EHTT
SCHEMBL20156931 0.59 MTOR (0.51) ALDH1A1KDM4ENPSR1PARP1HTR7
SCHEMBL20140770 0.58 ALDH1A1 (0.51) ALDH1A1LMNAKDM4ENPSR1HTT
SCHEMBL20157531 0.57 FAAH (0.39) ALDH1A1LMNAKMT2APOLBHRH3

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