SCHEMBL23749889

SCHEMBL23749889

CCOC(=O)/N=c1\scc(C2CC2)n1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
POLB P06746 2/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.41
TSHR P16473 3/20 0.41
MAPT P10636 3/20 0.41
ATM Q13315 2/20 0.41
GSK3B P49841 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RAB9A P51151 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TRPC5 Q9UL62 1/20 0.39
PKM P14618 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL23727101 0.85 HSD17B10 (0.39) ALDH1A1POLBGAATSHRMAPT
SCHEMBL23727102 0.85 HSD17B10 (0.39) ALDH1A1POLBGAATSHRMAPT
SCHEMBL30130842 0.81 ALDH1A1 (0.47) ALDH1A1POLBGAAMAPK1TSHR
SCHEMBL23749768 0.81 ALDH1A1 (0.47) ALDH1A1POLBGAAMAPK1TSHR
SCHEMBL25002133 0.81 ALDH1A1 (0.47) ALDH1A1POLBGAAMAPK1TSHR
SCHEMBL23749770 0.79 ALDH1A1 (0.45) ALDH1A1POLBGAAMAPK1TSHR
SCHEMBL25002132 0.79 MAPT (0.48) ALDH1A1POLBGAAMAPK1TSHR
SCHEMBL23750082 0.72 ALDH1A1 (0.56) ALDH1A1POLBGAAMAPK1TSHR
SCHEMBL23749761 0.69 GSK3B (0.59) ALDH1A1POLBGAATSHRMAPT
SCHEMBL23749867 0.69 LMNA (0.42) ALDH1A1TSHRMAPTGSK3BTDP1

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-2021158936-A1 PYRROLO [2,3-B]PYRIDINE-3-CARBOXAMIDE COMPOSITIONS AND METHODS FOR AMELIORATING HEARING LOSS THE ROCKEFELLER UNIVERSITY (US) 2021-08-12 WO disclosed