SCHEMBL30770769

SCHEMBL30770769

Cc1nc2cc(Br)ccn2c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.46
KMT2A Q03164 3/20 0.45
GAA P10253 5/20 0.44
POLB P06746 2/20 0.44
KDM4E B2RXH2 3/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 3/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 0.41
MAPK1 P28482 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
SCHEMBL1768162 0.84 SMN1; SMN2 (0.61) SMN1; SMN2KMT2AGAAPOLBKDM4E
SCHEMBL19695450 0.84 MAPK1 (0.47) SMN1; SMN2KMT2AGAAPOLBKDM4E
SCHEMBL16447604 0.81 SMN1; SMN2 (0.46) SMN1; SMN2KMT2AGAAPOLBKDM4E
SCHEMBL12294564 0.79 SMN1; SMN2 (0.50) SMN1; SMN2KMT2AGAAKDM4EMAPT
SCHEMBL21893931 0.79 MAPT (0.45) SMN1; SMN2KMT2AGAAPOLBKDM4E
SCHEMBL25327960 0.78 ALDH1A1 (0.41) SMN1; SMN2KMT2AGAAKDM4EMAPT
SCHEMBL974116 0.76 KDM4E (0.40) SMN1; SMN2GAAPOLBKDM4EMAPT
SCHEMBL954716 0.76 EPHB3 (0.57) SMN1; SMN2KMT2AGAAPOLBKDM4E
SCHEMBL19697349 0.76 SMN1; SMN2 (0.47) SMN1; SMN2KMT2AGAAKDM4EMAPT
SCHEMBL954146 0.76 KMT2A (0.76) SMN1; SMN2KMT2AGAAPOLBKDM4E

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-117769546-A Allosteric ketene inhibitors of phosphoinositide 3-kinase (PI 3K) for the treatment of disease 佩特拉制药公司 2024-03-26 CN disclosed