SCHEMBL29619607

SCHEMBL29619607

Cc1cc2c(cc1Br)C1(CC1(c1ccccc1)c1ccccc1)C(=O)N2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.39
BCHE P06276 1/20 0.37
CES1 P23141 1/20 0.37
LMNA P02545 2/20 0.36
KMT2A Q03164 3/20 0.34
POLB P06746 2/20 0.34
MEN1 O00255 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPT P10636 1/20 0.34
XBP1 P17861 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CASP6 P55212 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
PDK2 Q15119 1/20 0.31
PDK4 Q16654 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
ADAMTS5 Q9UNA0 1/20 0.31

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
SCHEMBL29619573 0.79 SLC27A2 (0.46) HTR6LMNAKMT2APOLBMEN1
SCHEMBL28515905 0.79 SLC27A2 (0.46) HTR6LMNAKMT2APOLBMEN1
SCHEMBL28522164 0.77 TP53 (0.42) HTR6LMNAKMT2APOLBMEN1
SCHEMBL29619574 0.76 HCRTR1 (0.46) HTR6KMT2APOLBMEN1CYP1A2
SCHEMBL28528531 0.74 LMNA (0.42) CES1LMNAKMT2APOLBMEN1
SCHEMBL29619616 0.72 LMNA (0.40) LMNAKMT2APOLBMEN1CYP1A2
SCHEMBL29619591 0.70 ALDH1A1 (0.39) HTR6KMT2AMEN1
SCHEMBL28526734 0.69 LMNA (0.42) HTR6LMNAKMT2APOLBMEN1
SCHEMBL29622128 0.68 PDE4A (0.43) BCHECES1CYP1A2CYP2C19
SCHEMBL28519633 0.66 KMT2A (0.40) LMNAKMT2APOLBMEN1CYP1A2

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