SCHEMBL31228798

SCHEMBL31228798

COCCc1nc2ccc(Br)cc2n1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.46
NPC1 O15118 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 3/20 0.46
USP2 O75604 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.42
GFER P55789 1/20 0.41
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NTRK1 P04629 1/20 0.38
NTRK2 Q16620 1/20 0.38
NPM1 P06748 1/20 0.38
ALK Q9UM73 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC1 Q13547 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL15112092 1.00 RAB9A (0.46) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL15112138 0.85 RAB9A (0.50) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL30699273 0.85 RAB9A (0.50) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL15111986 0.83 PPARG (0.46) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL23633170 0.82 RAB9A (0.39) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL17673776 0.82 MAPT (0.43) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL30173147 0.82 MAPT (0.43) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL23638268 0.82 MAPT (0.43) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL31588703 0.80 MAPT (0.46) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL31473684 0.80 MAPT (0.46) RAB9ANPC1SMN1; SMN2MEN1KMT2A

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-118724899-A 2 (1H) -quinoxalinone compounds, pharmaceutical compositions and uses thereof 中国药科大学 2024-10-01 CN disclosed