SCHEMBL29865055

SCHEMBL29865055

O=C(NO)c1cc2c(Nc3ccc(F)c(Cl)c3)ccc(F)c2[nH]1

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 11/20 0.78
TDO2 P48775 11/20 0.78
FBP1 P09467 4/20 0.47
PTK6 Q13882 1/20 0.43
CNR1 P21554 1/20 0.43
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SLC2A1 P11166 1/20 0.40
TSHR P16473 1/20 0.39

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
SCHEMBL28465108 0.88 IDO1 (1.00) IDO1TDO2FBP1
SCHEMBL29864912 0.88 IDO1 (1.00) IDO1TDO2FBP1
SCHEMBL28844754 0.87 IDO1 (0.80) IDO1TDO2FBP1PTK6CNR1
SCHEMBL29865139 0.87 IDO1 (0.80) IDO1TDO2FBP1PTK6CNR1
SCHEMBL29865133 0.86 IDO1 (0.76) IDO1TDO2FBP1PTK6NPC1
SCHEMBL28844603 0.86 IDO1 (0.76) IDO1TDO2FBP1PTK6NPC1
SCHEMBL29865086 0.82 IDO1 (0.88) IDO1TDO2FBP1SLC2A1
SCHEMBL28844829 0.82 IDO1 (0.88) IDO1TDO2FBP1SLC2A1
SCHEMBL29865067 0.82 IDO1 (0.88) IDO1TDO2FBP1
SCHEMBL28463204 0.82 IDO1 (0.88) IDO1TDO2FBP1

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-110483366-B Indole compound and preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2022-09-16 CN disclosed