SCHEMBL31455383

SCHEMBL31455383

Cc1nc(N)ccc1Nc1cc(-c2ccccn2)ccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
POLB P06746 2/20 0.42
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
ATM Q13315 1/20 0.37
TLR4 O00206 1/20 0.37
TLR2 O60603 1/20 0.37
KLKB1 P03952 1/20 0.36
RET P07949 1/20 0.36
RIPK1 Q13546 1/20 0.36
RIPK3 Q9Y572 1/20 0.36
F12 P00748 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36

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
SCHEMBL31455497 0.85 ABCB1 (0.43) MAPTSMN1; SMN2L3MBTL1
SCHEMBL31455134 0.83 MEN1 (0.44) MAPTNPC1RAB9APOLBMEN1
SCHEMBL31455200 0.77 IDO1 (0.39) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL31455538 0.76 ABL1 (0.47) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL13736898 0.74 MAPT (0.49) MAPTNPC1RAB9APOLBMEN1
SCHEMBL31420324 0.73 ABCG2 (0.40) MAPTRAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL8302605 0.71 MAPT (0.62) MAPTNPC1RAB9APOLBMEN1
SCHEMBL12643379 0.71 MAPT (0.69) MAPTNPC1RAB9APOLBMEN1
SCHEMBL25877483 0.70 MAPT (0.43) MAPTNPC1RAB9APOLBMEN1
SCHEMBL539616 0.70 NOS3 (0.48) MAPTPOLBMEN1KMT2ASMN1; SMN2

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
WO-2025059577-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS FOR USE AS AKT1 INHIBITORS ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed