SCHEMBL31455844

SCHEMBL31455844

CC(C)(C)OC(=O)Nc1ccc(Nc2cc(Br)ccc2[N+](=O)[O-])cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
LMNA P02545 2/20 0.41
BCL2 P10415 2/20 0.41
MAPT P10636 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
PRMT1 Q99873 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NAMPT P43490 1/20 0.38
HDAC1 Q13547 1/20 0.38
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
MAPK1 P28482 2/20 0.37
GBA1 P04062 1/20 0.37
HTT P42858 1/20 0.37
PKM P14618 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 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
SCHEMBL31455424 0.88 NPC1 (0.44) CYP1A2LMNAMAPTSMN1; SMN2PRMT1
SCHEMBL31144715 0.86 PRMT1 (0.46) LMNAMAPTPRMT1MEN1KMT2A
SCHEMBL31455150 0.85 ABCB1 (0.44) BCL2SMN1; SMN2PRMT1HDAC1NPC1
SCHEMBL31455499 0.85 MAPT (0.39) LMNAMAPTSMN1; SMN2PRMT1MEN1
SCHEMBL31455389 0.85 MEN1 (0.43) MAPTSMN1; SMN2PRMT1MEN1KMT2A
SCHEMBL31455563 0.82 PRMT1 (0.43) CYP1A2CYP2C19LMNABCL2MAPT
SCHEMBL13833547 0.81 SMN1; SMN2 (0.45) MAPTSMN1; SMN2NPC1RAB9APKM
SCHEMBL30118370 0.81 SMN1; SMN2 (0.45) MAPTSMN1; SMN2NPC1RAB9APKM
SCHEMBL31144701 0.81 EGFR (0.43) MAPTMEN1KMT2AHDAC1
SCHEMBL31455726 0.80 MAPT (0.49) CYP1A2CYP2C19LMNAMAPTSMN1; 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-2025059562-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS AND METHODS OF TREATING DISEASE USING SAME ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed