SCHEMBL30445714

SCHEMBL30445714

O=Cc1nccc(-c2cc(F)ccc2F)c1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.37
ATM Q13315 1/20 0.37
ABCC8 Q09428 1/20 0.36
KCNJ11 Q14654 1/20 0.36
CCNT1 O60563 5/20 0.35
CDK9 P50750 5/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
PABPC1 P11940 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TGFBR1 P36897 3/20 0.33
RIPK1 Q13546 1/20 0.33
HSPB1 P04792 1/20 0.33
MAPK14 Q16539 1/20 0.32

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
SCHEMBL26152048 1.00 TDP1 (0.37) TDP1ATMABCC8KCNJ11CCNT1
SCHEMBL26152047 0.88 TDP1 (0.36) TDP1ATMABCC8KCNJ11CCNT1
SCHEMBL31058904 0.88 TDP1 (0.36) TDP1ATMABCC8KCNJ11CCNT1
SCHEMBL25679726 0.83 TDP1 (0.39) TDP1ATMABCC8KCNJ11CCNT1
SCHEMBL30445375 0.83 TDP1 (0.39) TDP1ATMABCC8KCNJ11CCNT1
SCHEMBL30445465 0.78 ABCC8 (0.39) TDP1ATMABCC8KCNJ11CCNT1
SCHEMBL26152041 0.78 ABCC8 (0.39) TDP1ATMABCC8KCNJ11CCNT1
SCHEMBL26152033 0.77 CDC7 (0.37) ALDH1A1LMNATGFBR1MAPK14PTPN1
SCHEMBL30419174 0.77 CDC7 (0.37) ALDH1A1LMNATGFBR1MAPK14PTPN1
SCHEMBL30444915 0.76 CCNT1 (0.37) TDP1ATMABCC8KCNJ11CCNT1

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
EP-4405344-A2 PYRIDINYL DERIVATIVES AS SODIUM CHANNEL ACTIVATORS Xenon Pharmaceuticals Inc. (CA) 2024-07-31 EP disclosed
WO-2023049369-A2 PYRIDINYL DERIVATIVES AS SODIUM CHANNEL ACTIVATORS XENON PHARMACEUTICALS INC. (CA) 2023-03-30 WO disclosed