SCHEMBL28933441

SCHEMBL28933441

C(=Cc1nn(C2CCCCO2)c2ccc(Cc3ccccc3)cc12)c1ccccn1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
CYP4F2 P78329 5/20 0.35
CYP4A11 Q02928 5/20 0.35
ATR Q13535 2/20 0.34
NTRK1 P04629 1/20 0.34
NTRK3 Q16288 1/20 0.34
NTRK2 Q16620 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FGFR1 P11362 1/20 0.32
RET P07949 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
PDE9A O76083 1/20 0.32
F2R P25116 1/20 0.31
DRD1 P21728 1/20 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
SCHEMBL28933439 1.00 RXRA (0.36) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL29389829 0.90 RXRA (0.37) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL29854877 0.90 RXRA (0.37) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL28700991 0.90 RXRA (0.37) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30792331 0.86 IP6K1 (0.35) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL28708419 0.86 IP6K1 (0.35) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL29390550 0.86 IP6K1 (0.35) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL28708416 0.86 IP6K1 (0.35) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30792137 0.85 PDE10A (0.39) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL29390079 0.85 PDE10A (0.39) RXRARXRBRXRGCYP4F2CYP4A11

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