SCHEMBL28474573

SCHEMBL28474573

CCOC(=O)C(C#N)C(c1ccc(Cl)cc1)c1c[nH]c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 4/20 0.49
GAA P10253 4/20 0.49
SI P14410 4/20 0.49
MGAM2 Q2M2H8 4/20 0.49
MAPT P10636 3/20 0.45
LMNA P02545 3/20 0.45
TP53 P04637 1/20 0.45
THRB P10828 1/20 0.45
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.43
PKM P14618 1/20 0.42
MEN1 O00255 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
NPC1 O15118 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
HAT1 O14929 2/20 0.41

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
SCHEMBL28464413 0.91 KMT2A (0.50) MGAMGAASIMGAM2MAPT
SCHEMBL28471589 0.90 KMT2A (0.45) MGAMGAASIMGAM2MAPT
SCHEMBL28468313 0.86 MAPT (0.44) MGAMGAASIMGAM2MAPT
SCHEMBL4660059 0.82 GAA (0.41) GAAMAPTLMNAALDH1A1KMT2A
SCHEMBL28475935 0.77 GAA (0.49) MGAMGAASIMGAM2MAPT
SCHEMBL13844965 0.76 KMT2A (0.55) MGAMGAASIMGAM2MAPT
SCHEMBL1978550 0.76 GAA (0.42) GAAMAPTLMNAALDH1A1KMT2A
SCHEMBL14541842 0.74 KMT2A (0.53) MGAMGAASIMGAM2KMT2A
SCHEMBL14541836 0.74 KMT2A (0.53) MGAMGAASIMGAM2KMT2A
SCHEMBL28034598 0.73 PKM (0.55) MGAMGAASIMGAM2MAPT

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