SCHEMBL28974307

SCHEMBL28974307

NC(=O)Nc1ccc(Nc2ccncc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.66
GAA P10253 2/20 0.66
GFER P55789 1/20 0.66
POLB P06746 2/20 0.60
MDM2 Q00987 1/20 0.57
RAD52 P43351 1/20 0.55
PEPD P12955 1/20 0.55
ALDH1A1 P00352 2/20 0.53
NPC1 O15118 1/20 0.53
KDM4E B2RXH2 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
TAAR1 Q96RJ0 2/20 0.52
MITF O75030 1/20 0.50
MAPK1 P28482 1/20 0.50
KIF11 P52732 3/20 0.49
LMNA P02545 1/20 0.48
RAB9A P51151 1/20 0.47

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
SCHEMBL230957 0.92 MDM2 (0.67) MAPTGAAGFERMDM2PEPD
Hydrochloric Acid SCHEMBL27714679 0.90 MDM2 (0.64) MAPTGAAGFERMDM2PEPD
SCHEMBL4630961 0.84 KIF11 (0.63) MAPTGAAGFERPOLBMDM2
SCHEMBL23999548 0.83 MDM2 (0.83) MAPTGAAPOLBMDM2RAD52
SCHEMBL10836457 0.80 POLB (0.60) MAPTGAAPOLBMDM2RAD52
SCHEMBL5062623 0.80 PEPD (0.80) MAPTGAAGFERPEPDALDH1A1
SCHEMBL5008975 0.79 HSD17B10 (0.58) PEPDALDH1A1NPC1
SCHEMBL30832865 0.79 MAPT (1.00) MAPTGAAGFERPOLBPEPD
SCHEMBL30828552 0.78 KDM4E (0.85) MAPTGAAPOLBNPC1KDM4E
SCHEMBL23999623 0.78 KDM4E (0.85) MAPTGAAPOLBNPC1KDM4E

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-115867562-A AKT3 modulators 乔治穆内有限责任公司 2023-03-28 CN disclosed