SCHEMBL23749759

SCHEMBL23749759

C=C(CC)/N=c1\scc(C)n1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 2/20 0.44
RAB9A P51151 4/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ALOX5 P09917 3/20 0.41
PTGS2 P35354 3/20 0.41
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 3/20 0.40
TP53 P04637 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RXFP1 Q9HBX9 2/20 0.40
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HCRTR1 O43613 1/20 0.38
MAPK10 P53779 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL23728036 0.79 CYP1A2 (0.51) CYP1A2CYP2C19LMNARAB9AHSD17B10
SCHEMBL23728038 0.79 CYP1A2 (0.51) CYP1A2CYP2C19LMNARAB9AHSD17B10
SCHEMBL23749761 0.78 GSK3B (0.59) CYP1A2CYP2C19LMNARAB9AHSD17B10
SCHEMBL4616638 0.73 CYP1A2 (0.56) CYP1A2CYP2C19LMNARAB9AHSD17B10
SCHEMBL4616637 0.73 CYP1A2 (0.56) CYP1A2CYP2C19LMNARAB9AHSD17B10
SCHEMBL5708470 0.69 LMNA (0.47) CYP1A2CYP2C19LMNARAB9AHSD17B10
SCHEMBL4616053 0.68 CYP1A2 (0.61) CYP1A2CYP2C19LMNARAB9AHSD17B10
SCHEMBL25003083 0.67 MGAM (0.35) ALDH1A1MGAMGAASIMGAM2
SCHEMBL5708484 0.67 LMNA (0.48) CYP1A2CYP2C19LMNARAB9AHSD17B10
SCHEMBL23749758 0.64 ALDH1A1 (0.72) CYP1A2CYP2C19LMNARAB9AHSD17B10

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