SCHEMBL31422772

SCHEMBL31422772

O=[N+]([O-])c1ccc2c(c1)c(C(F)F)nn2C1CCCCO1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
HPGD P15428 1/20 0.38
MAPT P10636 6/20 0.37
ALDH1A1 P00352 2/20 0.37
CNR2 P34972 1/20 0.37
ACHE P22303 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
GFER P55789 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL27338781 0.85 MAPT (0.40) CYP1A2HPGDMAPTALDH1A1CNR2
SCHEMBL21198132 0.84 CYP1A2 (0.44) CYP1A2HPGDMAPTALDH1A1CNR2
SCHEMBL29672454 0.83 MAPT (0.40) CYP1A2HPGDMAPTALDH1A1CNR2
SCHEMBL5375050 0.83 CYP1A2 (0.39) CYP1A2HPGDMAPTALDH1A1CNR2
SCHEMBL16308649 0.83 MAPT (0.40) CYP1A2HPGDMAPTALDH1A1CNR2
SCHEMBL31482836 0.83 CYP1A2 (0.39) CYP1A2HPGDMAPTALDH1A1CNR2
SCHEMBL29643977 0.83 SIRT2 (0.40) CYP1A2HPGDMAPTALDH1A1CNR2
SCHEMBL28686145 0.83 SIRT2 (0.40) CYP1A2HPGDMAPTALDH1A1CNR2
SCHEMBL22890853 0.82 RET (0.37) ALDH1A1CNR2RXRARXRBRXRG
SCHEMBL29643967 0.82 RET (0.37) ALDH1A1CNR2RXRARXRBRXRG

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-2025085233-A1 NOVEL DERIVATIVES OF QUINOLINONES, AND COMPOSITIONS AND METHODS THEREOF ENSEM THERAPEUTICS, INC. (US) 2025-04-24 WO disclosed