SCHEMBL29688908

SCHEMBL29688908

Cc1cnc(N2CCN(C(=O)c3ccc(C4(C(C)C)NC(=O)NC4=O)cc3F)CC2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 3/20 0.38
MAPT P10636 2/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 2/20 0.38
SLC6A9 P48067 1/20 0.37
SLC6A5 Q9Y345 1/20 0.37
ADAMTS5 Q9UNA0 12/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TP53 P04637 1/20 0.37
ADAM17 P78536 6/20 0.36
MMP13 P45452 1/20 0.35
MMP2 P08253 1/20 0.35
CPS1 P31327 1/20 0.34
GBA1 P04062 1/20 0.34
MMP1 P03956 1/20 0.34

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
SCHEMBL20134791 1.00 HTT (0.40) HTTKMT2ALMNAMAPTTSHR
SCHEMBL20135670 0.90 HTT (0.37) HTTKMT2AKDM4ESLC6A9SLC6A5
SCHEMBL29689083 0.90 HTT (0.37) HTTKMT2AKDM4ESLC6A9SLC6A5
SCHEMBL29688943 0.88 HTT (0.42) HTTKMT2ALMNAMAPTTSHR
SCHEMBL29688198 0.88 HTT (0.42) HTTKMT2ALMNAMAPTTSHR
SCHEMBL20135398 0.88 HTT (0.42) HTTKMT2ALMNAMAPTTSHR
SCHEMBL20135402 0.88 HTT (0.42) HTTKMT2ALMNAMAPTTSHR
SCHEMBL29688993 0.87 HTT (0.40) HTTKMT2ALMNAMAPTTSHR
SCHEMBL20135075 0.87 HTT (0.40) HTTKMT2ALMNAMAPTTSHR
SCHEMBL20134989 0.87 ALDH1A1 (0.40) HTTKMT2ALMNAMAPTKDM4E

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
CN-107922347-B Novel imide derivatives and their use as pharmaceuticals 田边三菱制药株式会社 2022-06-28 CN disclosed