SCHEMBL22509693

SCHEMBL22509693

Cc1ccc2cc(C(C)C)c(N)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCK1 P16333 1/20 0.46
BACE1 P56817 1/20 0.46
CYP1A2 P05177 4/20 0.46
ALDH1A1 P00352 6/20 0.44
LMNA P02545 3/20 0.44
POLB P06746 2/20 0.44
GAA P10253 2/20 0.44
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
CYP2A6 P11509 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
TRPA1 O75762 1/20 0.40
CHRM1 P11229 1/20 0.40
SLC6A2 P23975 1/20 0.40
ADRA1A P35348 1/20 0.40
HTR2B P41595 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL22521518 0.82 NPC1 (0.44) ALDH1A1LMNAPOLBGAAKMT2A
SCHEMBL29975503 0.81 BACE1 (0.50) BACE1CYP1A2ALDH1A1LMNAKMT2A
SCHEMBL21129800 0.81 BACE1 (0.50) BACE1CYP1A2ALDH1A1LMNAKMT2A
SCHEMBL13394489 0.79 KMT2A (0.56) CYP1A2ALDH1A1LMNAGAAKMT2A
SCHEMBL22521420 0.78 SCN10A (0.37) BACE1ALDH1A1GAAKMT2AMEN1
SCHEMBL22045308 0.78 TLR8 (0.57) ALDH1A1GAAKMT2AMEN1MAPT
SCHEMBL22509810 0.77 CYP1A2 (0.52) NCK1BACE1CYP1A2ALDH1A1LMNA
SCHEMBL22521539 0.76 TLR8 (0.40) LMNAKMT2AMEN1SLC6A2HTR2B
SCHEMBL13870796 0.75 CYP1A2 (0.42) NCK1BACE1CYP1A2ALDH1A1LMNA
SCHEMBL22509740 0.74 KMT2A (0.50) NCK1BACE1CYP1A2ALDH1A1LMNA

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-2020205867-A1 COMPOUNDS TARGETING PRMT5 ALIGOS THERAPEUTICS, INC. (US) 2020-10-08 WO disclosed