SCHEMBL28698692

SCHEMBL28698692

O=C(O)c1ccc2c(c1)c(C=Cc1ccccn1)nn2C1CCCCO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.39
HCAR3 P49019 3/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
DGAT2 Q96PD7 1/20 0.35
CYP4F2 P78329 3/20 0.35
CYP4A11 Q02928 3/20 0.35
ATR Q13535 2/20 0.35
KDR P35968 2/20 0.34
TEAD1 P28347 1/20 0.34
TEAD4 Q15561 1/20 0.34
TEAD2 Q15562 1/20 0.34
PTGER4 P35408 1/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL30792137 1.00 PDE10A (0.39) PDE10AHCAR3HSD17B10GAARXRA
SCHEMBL29390079 1.00 PDE10A (0.39) PDE10AHCAR3HSD17B10GAARXRA
SCHEMBL28698688 1.00 PDE10A (0.39) PDE10AHCAR3HSD17B10GAARXRA
SCHEMBL28707121 0.89 DGAT2 (0.34) PDE10ARXRARXRBRXRGDGAT2
SCHEMBL30792270 0.86 RET (0.37) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL28684894 0.86 RET (0.37) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL28684897 0.86 RET (0.37) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL29387740 0.86 RET (0.37) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL29705188 0.86 FGFR1 (0.38) PDE10ACYP4F2CYP4A11ATRMEN1
SCHEMBL18198891 0.86 FGFR1 (0.38) PDE10ACYP4F2CYP4A11ATRMEN1

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
CN-114072387-A Indazole compound and medicinal composition and application thereof 暨南大学 2022-02-18 CN disclosed