SCHEMBL31499331

SCHEMBL31499331

O=C1Nc2ccccc2[C@]1(c1ccccc1)n1cccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
PDK2 Q15119 1/20 0.44
PDK4 Q16654 1/20 0.44
CHRM2 P08172 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
KCNH2 Q12809 1/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HTR6 P50406 1/20 0.38
ALDH1A1 P00352 5/20 0.38
GAA P10253 2/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
MAPT P10636 2/20 0.38
AKR1B1 P15121 1/20 0.38
USP2 O75604 1/20 0.37
PKM P14618 1/20 0.37
KDM4E B2RXH2 2/20 0.37
BACE1 P56817 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL31499347 1.00 LMNA (0.54) LMNAPDK2PDK4CHRM2ADORA3
SCHEMBL2716061 0.82 CYP19A1 (0.61) LMNAPDK2PDK4CHRM2ADORA3
SCHEMBL28614818 0.78 BRD4 (0.54) LMNAPDK2PDK4MEN1KMT2A
SCHEMBL28217408 0.74 BRD4 (0.58) LMNAMEN1KMT2AHTR6ALDH1A1
SCHEMBL2715686 0.71 LMNA (1.00) LMNAPDK2PDK4CHRM2ADORA3
SCHEMBL31306897 0.68 KMT2A (0.66) LMNAPDK2PDK4CHRM2ADORA3
SCHEMBL4548022 0.68 LMNA (0.61) LMNAPDK2PDK4CHRM2ADORA3
SCHEMBL18552443 0.68 KMT2A (0.66) LMNAPDK2PDK4CHRM2ADORA3
SCHEMBL6288766 0.68 LMNA (0.61) LMNAPDK2PDK4CHRM2ADORA3
SCHEMBL18197230 0.68 LMNA (0.61) LMNAPDK2PDK4CHRM2ADORA3

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