SCHEMBL29929026

SCHEMBL29929026

O=C(O)c1ccccc1NC(=O)c1cn(Cc2cnccn2)c2ccccc12

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.79
CNR2 P34972 4/20 0.44
KDM4E B2RXH2 1/20 0.43
CNR1 P21554 3/20 0.43
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
EGFR P00533 1/20 0.41
SRC P12931 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4D Q6B0I6 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
MEN1 O00255 1/20 0.40
GFER P55789 1/20 0.40
KMT2A Q03164 1/20 0.40
TUBB4A P04350 1/20 0.40

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
SCHEMBL28577788 1.00 SLC22A12 (0.79) SLC22A12CNR2KDM4ECNR1LMNA
SCHEMBL28589201 0.89 SLC22A12 (0.63) SLC22A12CNR2KDM4ECNR1LMNA
SCHEMBL28589808 0.89 SLC22A12 (1.00) SLC22A12CNR2KDM4ECNR1LMNA
SCHEMBL28584451 0.85 SLC22A12 (0.81) SLC22A12CNR2KDM4ECNR1LMNA
SCHEMBL28579237 0.84 SLC22A12 (0.68) SLC22A12CNR2KDM4ECNR1LMNA
SCHEMBL28595188 0.84 SLC22A12 (0.80) SLC22A12CNR2CNR1LMNAHTT
SCHEMBL28577804 0.83 SLC22A12 (0.72) SLC22A12CNR2CNR1LMNAHTT
SCHEMBL28584024 0.83 SLC22A12 (0.74) SLC22A12CNR2KDM4ECNR1LMNA
SCHEMBL29929174 0.83 SLC22A12 (0.74) SLC22A12CNR2KDM4ECNR1LMNA
SCHEMBL28577420 0.81 SLC22A12 (0.72) SLC22A12CNR2KDM4ECNR1LMNA

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-113004188-B Indole derivative, preparation method and application 沈阳药科大学 2022-09-20 CN disclosed