SCHEMBL29619574

SCHEMBL29619574

Cc1cc(Br)cc2c1NC(=O)C21CC1(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.46
MAPT P10636 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.42
HTR6 P50406 1/20 0.36
KMT2A Q03164 3/20 0.34
CNR1 P21554 1/20 0.33
HTT P42858 1/20 0.33
GPR35 Q9HC97 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
TRPM2 O94759 1/20 0.32
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MEN1 O00255 2/20 0.31
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
TSHR P16473 1/20 0.31
APEX1 P27695 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL28515905 0.76 SLC27A2 (0.46) MAPTL3MBTL1HTR6KMT2AMEN1
SCHEMBL29619573 0.76 SLC27A2 (0.46) MAPTL3MBTL1HTR6KMT2AMEN1
SCHEMBL29619591 0.76 ALDH1A1 (0.39) HTR6KMT2AMEN1ALDH1A1
SCHEMBL29619607 0.76 HTR6 (0.39) MAPTHTR6KMT2AMMP2MMP9
SCHEMBL28522164 0.74 TP53 (0.42) MAPTL3MBTL1HTR6KMT2AMEN1
SCHEMBL29619616 0.69 LMNA (0.40) MAPTL3MBTL1KMT2AMEN1CYP1A2
SCHEMBL28528531 0.69 LMNA (0.42) MAPTL3MBTL1KMT2AMEN1CYP1A2
SCHEMBL28526734 0.67 LMNA (0.42) MAPTL3MBTL1HTR6KMT2AMEN1
SCHEMBL24654091 0.67 HTR6 (0.38) MAPTHTR6KMT2AMEN1TSHR
SCHEMBL29619626 0.67 HTR6 (0.38) MAPTHTR6KMT2AMEN1TSHR

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