SCHEMBL28465658

SCHEMBL28465658

N#CC(C#N)C(c1ccccc1Cl)c1c[nH]c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
VDR P11473 1/20 0.52
GPR84 Q9NQS5 3/20 0.50
FFAR1 O14842 2/20 0.50
MGAM O43451 3/20 0.41
GAA P10253 3/20 0.41
SI P14410 3/20 0.41
MGAM2 Q2M2H8 3/20 0.41
KIF20A O95235 2/20 0.41
IMPDH2 P12268 1/20 0.41
IMPDH1 P20839 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
MAPT P10636 2/20 0.38
PIP4K2A P48426 1/20 0.38
APP P05067 1/20 0.36
SRC P12931 1/20 0.36

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
SCHEMBL28475935 0.82 GAA (0.49) VDRGPR84FFAR1MGAMGAA
SCHEMBL17548552 0.81 GPR84 (0.54) GPR84FFAR1MGAMGAASI
SCHEMBL22922617 0.77 VDR (0.61) VDRGPR84FFAR1MGAMGAA
SCHEMBL28468313 0.76 MAPT (0.44) VDRGPR84FFAR1MGAMGAA
SCHEMBL28471624 0.76 MEN1 (0.50) GPR84FFAR1MGAMGAASI
SCHEMBL28466087 0.74 VDR (0.55) VDRMAPT
SCHEMBL27981638 0.74 GPR84 (0.77) VDRGPR84FFAR1MGAMGAA
SCHEMBL4331721 0.73 GPR84 (0.54) GPR84FFAR1MGAMGAASI
SCHEMBL28471061 0.73 GPR84 (0.46) GPR84FFAR1GAAKIF20AIMPDH2
SCHEMBL28475628 0.73 NR3C1 (0.62) GPR84FFAR1MGAMGAASI

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111822047-B Method for synthesizing indole derivatives through magnetic mesoporous polymeric ionic liquid supported catalysis 曲阜师范大学 2022-05-27 CN disclosed
CN-111822047-A Method for synthesizing indole derivatives by magnetic mesoporous polymeric ionic liquid supported catalysis 曲阜师范大学 2020-10-27 CN disclosed