SCHEMBL31099102

SCHEMBL31099102

COc1ccc(CNC2(C#Cc3ccc(F)nc3F)CCN(C(=O)OC(C)(C)C)C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TP53 P04637 3/20 0.38
ALDH1A1 P00352 2/20 0.36
TLR9 Q9NR96 1/20 0.36
MMP13 P45452 2/20 0.36
ADAM17 P78536 2/20 0.36
MMP2 P08253 1/20 0.36
MMP14 P50281 1/20 0.36
BACE1 P56817 2/20 0.35
CTSD P07339 1/20 0.35
CTSE P14091 1/20 0.35
DGAT2 Q96PD7 1/20 0.35
KDM1A O60341 1/20 0.35
DNMT3A Q9Y6K1 1/20 0.35
EPHX2 P34913 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
STS P08842 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
SCHEMBL31207279 1.00 LMNA (0.41) LMNAMAPTSMN1; SMN2TP53ALDH1A1
SCHEMBL31099093 0.84 LMNA (0.39) LMNAMAPTSMN1; SMN2TP53ALDH1A1
SCHEMBL31207238 0.84 LMNA (0.39) LMNAMAPTSMN1; SMN2TP53ALDH1A1
SCHEMBL31207240 0.83 LMNA (0.40) LMNAMAPTSMN1; SMN2TP53ALDH1A1
SCHEMBL31099109 0.83 LMNA (0.40) LMNAMAPTSMN1; SMN2TP53ALDH1A1
SCHEMBL31099142 0.80 LMNA (0.49) LMNAMAPTSMN1; SMN2TP53ALDH1A1
SCHEMBL27229526 0.80 LMNA (0.49) LMNAMAPTSMN1; SMN2TP53ALDH1A1
SCHEMBL27090313 0.76 LMNA (0.53) LMNAMAPTSMN1; SMN2TP53ALDH1A1
SCHEMBL27229519 0.71 MAPT (0.50) LMNAMAPTSMN1; SMN2TP53ALDH1A1
SCHEMBL28525675 0.70 LMNA (0.55) LMNAMAPTSMN1; SMN2TP53ALDH1A1

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-118510780-A Spiro heterocyclic compounds and uses thereof 广州必贝特医药股份有限公司 2024-08-16 CN disclosed