SCHEMBL31546757

SCHEMBL31546757

C#Cc1cc(OC)ncn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 5/20 0.53
▸ CYP2C19 P33261 2/20 0.39
▸ KDM4E B2RXH2 3/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ CYP1A1 P04798 1/20 0.35
▸ CYP1B1 Q16678 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.34
▸ LOX P28300 1/20 0.32
▸ LOXL2 Q9Y4K0 1/20 0.32
▸ EGFR P00533 1/20 0.32
▸ ILK Q13418 1/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ L3MBTL1 Q9Y468 2/20 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
SCHEMBL4405141 0.79 HPGDS (0.41) PDE2ACYP2C19KDM4ENPC1RAB9A
SCHEMBL26831736 0.77 HDAC8 (0.34) PDE2AHDAC8
SCHEMBL1478401 0.77 CYP2C19 (0.48) CYP2C19KDM4ENPC1RAB9AMAPT
SCHEMBL31546704 0.75 CYP2C19 (0.39) PDE2ACYP2C19KDM4ENPC1RAB9A
SCHEMBL31546684 0.75 CYP2C19 (0.39) PDE2ACYP2C19KDM4ENPC1RAB9A
SCHEMBL6386093 0.74 CYP2C19 (0.47) CYP2C19KDM4ENPC1RAB9AMAPT
SCHEMBL29250306 0.72 CYP2C19 (0.46) CYP2C19KDM4ENPC1RAB9AMAPT
SCHEMBL6887305 0.71 — —
SCHEMBL31751133 0.71 ACACB (0.36) PDE2ACYP2C19KDM4ENPC1RAB9A
SCHEMBL28115222 0.70 CYP2C19 (0.41) CYP2C19KDM4ENPC1RAB9AMAPT

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-2025076285-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USING THE SAME DELPHIA THERAPEUTICS, INC. (US) 2025-04-10 — — WO disclosed
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