SCHEMBL29619586

SCHEMBL29619586

CN1C(=O)C2(CC2(c2ccccc2)c2ccccc2)c2cc(Br)ccc21

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
LMNA P02545 2/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 3/20 0.43
GABRA1 P14867 2/20 0.43
GABRB2 P47870 2/20 0.43
TP53 P04637 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 1/20 0.40
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
KDM4E B2RXH2 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
BACE1 P56817 4/20 0.37
PKM P14618 1/20 0.36

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
SCHEMBL29619603 0.88 MAPT (0.48) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL29619619 0.87 ALDH1A1 (0.52) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL29619614 0.85 MAPT (0.39) MAPTLMNAKMT2AALDH1A1TP53
SCHEMBL24654265 0.84 PTGDR2 (0.51) ALDH1A1GABRA1GABRB2GABRG2GABRB3
SCHEMBL29619584 0.84 PTGDR2 (0.51) ALDH1A1GABRA1GABRB2GABRG2GABRB3
SCHEMBL29619626 0.80 HTR6 (0.38) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL24654091 0.80 HTR6 (0.38) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL29619636 0.80 TP53 (0.55) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL15560244 0.72 MAPT (0.48) MAPTLMNAKMT2AALDH1A1GABRA1
SCHEMBL29891629 0.71 PDE4A (0.51) MAPTLMNAKMT2AMEN1ALDH1A1

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-2022082817-A1 3-THREE-MEMBERED SPIROOXINDOLE DERIVATIVE SYNTHESIZING METHOD 苏州大学 2022-04-28 WO disclosed