SCHEMBL31099093

SCHEMBL31099093

COc1ccc(CNC2(C#Cc3ccc(C(F)(F)F)nc3Cl)CCN(C(=O)OC(C)(C)C)C2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MMP13 P45452 4/20 0.37
ADAM17 P78536 4/20 0.37
MMP2 P08253 2/20 0.37
MMP14 P50281 1/20 0.37
TP53 P04637 3/20 0.37
EPHX2 P34913 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
STS P08842 1/20 0.36
DGAT2 Q96PD7 1/20 0.35
KDM1A O60341 1/20 0.35
NAMPT P43490 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TLR9 Q9NR96 1/20 0.34
MMP1 P03956 1/20 0.34
MMP3 P08254 1/20 0.34
MMP7 P09237 1/20 0.34
MMP9 P14780 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
SCHEMBL31207238 1.00 LMNA (0.39) LMNAMAPTSMN1; SMN2MMP13ADAM17
SCHEMBL31207240 0.89 LMNA (0.40) LMNAMAPTSMN1; SMN2MMP13ADAM17
SCHEMBL31099109 0.89 LMNA (0.40) LMNAMAPTSMN1; SMN2MMP13ADAM17
SCHEMBL31099102 0.84 LMNA (0.41) LMNAMAPTSMN1; SMN2MMP13ADAM17
SCHEMBL31207279 0.84 LMNA (0.41) LMNAMAPTSMN1; SMN2MMP13ADAM17
SCHEMBL31099103 0.79 EPHX2 (0.40) LMNAMAPTSMN1; SMN2MMP13ADAM17
SCHEMBL31207253 0.79 EPHX2 (0.40) LMNAMAPTSMN1; SMN2MMP13ADAM17
SCHEMBL31099142 0.77 LMNA (0.49) LMNAMAPTSMN1; SMN2MMP13ADAM17
SCHEMBL27229526 0.77 LMNA (0.49) LMNAMAPTSMN1; SMN2MMP13ADAM17
SCHEMBL27090313 0.74 LMNA (0.53) LMNAMAPTSMN1; SMN2MMP13ADAM17

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