SCHEMBL31455497

SCHEMBL31455497

Cc1nc(N)ccc1Nc1cc(-c2ccccc2)ccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 7/20 0.43
ABCC1 P33527 5/20 0.41
MAPT P10636 2/20 0.40
APP P05067 1/20 0.40
MYC P01106 1/20 0.40
KCNMA1 Q12791 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
AKR1B10 O60218 1/20 0.39
AKR1B1 P15121 1/20 0.39
AKR1C4 P17516 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
BACE1 P56817 1/20 0.39
ABCG2 Q9UNQ0 2/20 0.39

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
SCHEMBL31455383 0.85 MAPT (0.43) MAPTSMN1; SMN2L3MBTL1
SCHEMBL31455200 0.81 IDO1 (0.39) MAPTBACE1
SCHEMBL31420324 0.80 ABCG2 (0.40) ABCC1MAPTMYCSMN1; SMN2L3MBTL1
SCHEMBL31455840 0.75 ABCB1 (0.52) ABCB1ABCC1MAPTMYCSMN1; SMN2
SCHEMBL31455065 0.74 ABCB1 (0.44) ABCB1ABCC1KCNMA1AKR1B10AKR1B1
SCHEMBL15940303 0.73 APP (0.48) ABCB1ABCC1MAPTAPPMYC
SCHEMBL18104290 0.71 L3MBTL1 (0.55) ABCB1ABCC1MAPTAPPMYC
SCHEMBL539616 0.71 NOS3 (0.48) MAPTSMN1; SMN2L3MBTL1
SCHEMBL30875970 0.71 NOS3 (0.48) MAPTSMN1; SMN2L3MBTL1
SCHEMBL6573413 0.70 ABCB1 (0.50) ABCB1ABCC1APPKCNMA1L3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025059562-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS AND METHODS OF TREATING DISEASE USING SAME ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed
WO-2025059577-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS FOR USE AS AKT1 INHIBITORS ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed