SCHEMBL29688232

SCHEMBL29688232

COc1cc(C(=O)N2CCN(c3nc(C)c(C)cc3C)CC2)ccc1C1(C(C)C)NC(=O)NC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
GAA P10253 2/20 0.41
ATM Q13315 1/20 0.41
LMNA P02545 6/20 0.40
TSHR P16473 1/20 0.39
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
NR3C1 P04150 1/20 0.38
PGR P06401 1/20 0.38
SLC6A4 P31645 1/20 0.38
KCNH2 Q12809 1/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
PKM P14618 1/20 0.38
MMP2 P08253 1/20 0.37
ADAM17 P78536 1/20 0.37
ADAMTS5 Q9UNA0 1/20 0.37
POLB P06746 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL20134933 1.00 MAPT (0.41) MAPTSMN1; SMN2GAAATMLMNA
SCHEMBL20134983 0.91 ADAMTS5 (0.37) MAPTSMN1; SMN2LMNATSHRALDH1A1
SCHEMBL29688815 0.91 ADAMTS5 (0.37) MAPTSMN1; SMN2LMNATSHRALDH1A1
SCHEMBL29688842 0.88 LMNA (0.44) MAPTSMN1; SMN2GAAATMLMNA
SCHEMBL20135127 0.88 LMNA (0.44) MAPTSMN1; SMN2GAAATMLMNA
SCHEMBL29689268 0.88 LMNA (0.44) MAPTSMN1; SMN2GAAATMLMNA
SCHEMBL20135123 0.88 LMNA (0.44) MAPTSMN1; SMN2GAAATMLMNA
SCHEMBL20135401 0.88 LMNA (0.44) MAPTSMN1; SMN2GAAATMLMNA
SCHEMBL29689282 0.88 LMNA (0.44) MAPTSMN1; SMN2GAAATMLMNA
SCHEMBL20134817 0.85 ALDH1A1 (0.37) MAPTSMN1; SMN2LMNATSHRALDH1A1

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 2 patents. 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 claimed
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