SCHEMBL31207253

SCHEMBL31207253

COc1ccc(CNC2(CCc3ccc(C(F)(F)F)nc3Cl)CCN(C(=O)OC(C)(C)C)C2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TP53 P04637 3/20 0.37
KDM1A O60341 1/20 0.37
GPR119 Q8TDV5 1/20 0.36
STS P08842 1/20 0.36
MMP13 P45452 3/20 0.36
ADAM17 P78536 3/20 0.36
MMP2 P08253 1/20 0.36
MMP14 P50281 1/20 0.36
DGAT2 Q96PD7 1/20 0.35
NAMPT P43490 2/20 0.35
ALDH1A1 P00352 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
TLR9 Q9NR96 1/20 0.35
MMP1 P03956 1/20 0.34
MMP3 P08254 1/20 0.34
MMP7 P09237 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
SCHEMBL31099103 1.00 EPHX2 (0.40) EPHX2MAPTLMNASMN1; SMN2TP53
SCHEMBL31207273 0.88 LMNA (0.40) EPHX2MAPTLMNASMN1; SMN2TP53
SCHEMBL31099097 0.88 LMNA (0.40) EPHX2MAPTLMNASMN1; SMN2TP53
SCHEMBL31099093 0.79 LMNA (0.39) EPHX2MAPTLMNASMN1; SMN2TP53
SCHEMBL31207238 0.79 LMNA (0.39) EPHX2MAPTLMNASMN1; SMN2TP53
SCHEMBL27229519 0.77 MAPT (0.50) EPHX2MAPTLMNASMN1; SMN2TP53
SCHEMBL28525675 0.74 LMNA (0.55) EPHX2MAPTLMNASMN1; SMN2TP53
SCHEMBL31207250 0.73 LMNA (0.34) EPHX2MAPTLMNASMN1; SMN2TP53
SCHEMBL31207239 0.73 LMNA (0.34) EPHX2MAPTLMNASMN1; SMN2TP53
SCHEMBL31099096 0.73 LMNA (0.34) EPHX2MAPTLMNASMN1; SMN2TP53

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
WO-2024255412-A1 SPIRO HETEROCYCLIC COMPOUND AND USE THEREOF 广州必贝特医药股份有限公司 2024-12-19 WO disclosed