SCHEMBL29074192

SCHEMBL29074192

CCC1(c2c[nH]c3ccccc23)Nc2ccccc2C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 4/20 0.47
GAA P10253 4/20 0.47
SI P14410 4/20 0.47
MGAM2 Q2M2H8 4/20 0.47
NTRK1 P04629 2/20 0.40
PRKD3 O94806 2/20 0.40
ABL1 P00519 2/20 0.40
DAPK3 O43293 1/20 0.40
MAP4K4 O95819 1/20 0.40
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
CSF1R P07333 1/20 0.40
RET P07949 1/20 0.40
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
LTK P29376 1/20 0.40
GRK5 P34947 1/20 0.40
KDR P35968 1/20 0.40
FLT3 P36888 1/20 0.40
MAPK8 P45983 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
SCHEMBL29074193 0.80 GAA (0.50) MGAMGAASIMGAM2NTRK1
SCHEMBL20550348 0.79 MGAM (0.52) MGAMGAASIMGAM2NTRK1
SCHEMBL29396524 0.79 MGAM (0.52) MGAMGAASIMGAM2NTRK1
SCHEMBL18418508 0.75 JAK2 (0.50) MGAMGAASIMGAM2TP53
SCHEMBL29074194 0.75 MGAM (0.48) MGAMGAASIMGAM2NTRK1
SCHEMBL28417194 0.74 MGAM (0.48) MGAMGAASIMGAM2NTRK1
SCHEMBL28417192 0.73 MGAM (0.47) MGAMGAASIMGAM2NTRK1
SCHEMBL21430990 0.73 JAK2 (0.48) MGAMGAASIMGAM2NTRK1
SCHEMBL30159170 0.73 JAK2 (0.48) MGAMGAASIMGAM2NTRK1
SCHEMBL22890490 0.70 MGAM (0.43) MGAMGAASIMGAM2NTRK1

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-116751150-A Synthesis method of 2-indolyl substituted indol-3-one compound 福建医科大学 2023-09-15 CN disclosed