SCHEMBL29201728

SCHEMBL29201728

CC(CO[Si](C)(C)C(C)(C)C)CN1CCN(Cc2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.46
LMNA P02545 2/20 0.45
GAA P10253 1/20 0.45
KDM4E B2RXH2 3/20 0.45
ATM Q13315 1/20 0.45
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 1/20 0.44
XBP1 P17861 1/20 0.44
MC4R P32245 1/20 0.44
POLB P06746 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NPC1 O15118 2/20 0.41
TP53 P04637 2/20 0.41

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
SCHEMBL29201727 1.00 SIGMAR1 (0.46) SIGMAR1LMNAGAAKDM4EATM
SCHEMBL29201698 0.87 LMNA (0.58) LMNAGAAKDM4ECYP2D6CYP2C9
SCHEMBL29201720 0.87 LMNA (0.58) LMNAGAAKDM4ECYP2D6CYP2C9
SCHEMBL29201716 0.85 SIGMAR1 (0.45) SIGMAR1LMNAGAAKDM4EATM
SCHEMBL29201714 0.85 SIGMAR1 (0.45) SIGMAR1LMNAGAAKDM4EATM
SCHEMBL30864070 0.73 SIGMAR1 (0.60) SIGMAR1LMNAGAAKDM4EATM
SCHEMBL30816869 0.73 SIGMAR1 (0.60) SIGMAR1LMNAGAAKDM4EATM
SCHEMBL30816895 0.73 SIGMAR1 (0.60) SIGMAR1LMNAGAAKDM4EATM
SCHEMBL8435472 0.72 TACR1 (0.53) SIGMAR1LMNAGAAMEN1KMT2A
SCHEMBL1126489 0.72 SIGMAR1 (0.69) SIGMAR1LMNAGAAKDM4EMC4R

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-117917410-A Pan-KRAS degradation agent and preparation method and application thereof 上海领泰生物医药科技有限公司 2024-04-23 CN disclosed
CN-117917416-A KRAS G12D degradation agent and preparation method and application thereof 上海领泰生物医药科技有限公司 2024-04-23 CN disclosed