SCHEMBL31455238

SCHEMBL31455238

O=[N+]([O-])c1ccc(-c2ccccn2)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.49
ATM Q13315 1/20 0.49
TLR4 O00206 1/20 0.48
TLR2 O60603 1/20 0.48
MAPT P10636 8/20 0.46
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 3/20 0.45
MAPK1 P28482 1/20 0.45
GRM5 P41594 2/20 0.43
LMNA P02545 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
THRB P10828 1/20 0.43
PKM P14618 1/20 0.43
IDO1 P14902 1/20 0.43
RECQL P46063 1/20 0.43
TDO2 P48775 1/20 0.43

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
SCHEMBL6503392 0.88 MAPT (0.49) TDP1TLR4TLR2MAPTRAB9A
SCHEMBL13736898 0.82 MAPT (0.49) TDP1ATMTLR4TLR2MAPT
SCHEMBL12643379 0.79 MAPT (0.69) TDP1TLR4TLR2MAPTRAB9A
SCHEMBL8302605 0.79 MAPT (0.62) TDP1TLR4TLR2MAPTRAB9A
SCHEMBL6974757 0.79 AURKB (0.50) TDP1TLR4TLR2MAPTRAB9A
SCHEMBL3031212 0.79 MAPT (0.63) TLR4TLR2MAPTRAB9ANPC1
SCHEMBL18553627 0.78 MAPT (0.46) TDP1ATMTLR4TLR2MAPT
SCHEMBL16473340 0.78 TDP1 (0.45) TDP1ATMMAPTRAB9ANPC1
SCHEMBL6508859 0.78 MAPT (0.42) TDP1TLR4TLR2MAPTRAB9A
SCHEMBL31375722 0.77 TDP1 (0.58) TDP1ATMMAPTALDH1A1MAPK1

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