SCHEMBL31499345

SCHEMBL31499345

COc1ccc2c(c1)[C@@](c1ccccc1)(c1ccc3ccccc3c1)C(=O)N2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
MAPT P10636 2/20 0.47
CYP1A2 P05177 1/20 0.44
CYP2A6 P11509 1/20 0.44
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
XBP1 P17861 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CHRM2 P08172 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
KCNH2 Q12809 1/20 0.42
PGR P06401 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
AKR1B1 P15121 1/20 0.40
HTR6 P50406 3/20 0.39
PDE7A Q13946 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.37
ABCG2 Q9UNQ0 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
SCHEMBL31499328 1.00 LMNA (0.49) LMNAMAPTCYP1A2CYP2A6KMT2A
SCHEMBL31499330 0.83 LMNA (0.73) LMNAMAPTKMT2AMEN1XBP1
SCHEMBL31499369 0.82 LMNA (0.51) LMNAMAPTCYP1A2CYP2A6KMT2A
SCHEMBL31499327 0.82 LMNA (0.51) LMNAMAPTCYP1A2CYP2A6KMT2A
SCHEMBL5478595 0.80 CHRM2 (0.57) LMNAMAPTKMT2AMEN1XBP1
SCHEMBL11751065 0.80 MAPT (0.46) LMNAMAPTKMT2AMEN1XBP1
SCHEMBL31499349 0.79 LMNA (0.71) LMNAMAPTKMT2AMEN1XBP1
SCHEMBL31499321 0.79 LMNA (0.71) LMNAMAPTKMT2AMEN1XBP1
SCHEMBL17813120 0.77 MAPT (0.69) LMNAMAPTKMT2AMEN1XBP1
SCHEMBL11751056 0.76 MAPT (0.45) LMNAMAPTKMT2AMEN1XBP1

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-119954707-A Chiral 3, 3-disubstituted indolone compound and preparation method and application thereof 云南大学 2025-05-09 CN disclosed