SCHEMBL30445375

SCHEMBL30445375

O=[N+]([O-])c1c(-c2cc(F)ccc2F)ccnc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.39
ATM Q13315 1/20 0.39
ABCC8 Q09428 1/20 0.38
KCNJ11 Q14654 1/20 0.38
CCNT1 O60563 3/20 0.36
CDK9 P50750 3/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
TGFBR1 P36897 1/20 0.34
HSPB1 P04792 1/20 0.34
MAPK14 Q16539 3/20 0.33
S1PR4 O95977 1/20 0.33
MDM2 Q00987 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL25679726 1.00 TDP1 (0.39) TDP1ATMABCC8KCNJ11CCNT1
SCHEMBL26152048 0.83 TDP1 (0.37) TDP1ATMABCC8KCNJ11CCNT1
SCHEMBL30445714 0.83 TDP1 (0.37) TDP1ATMABCC8KCNJ11CCNT1
SCHEMBL25120574 0.82 GPBAR1 (0.40) TDP1LMNAALDH1A1MAPK14KDM4E
SCHEMBL31058953 0.82 GPBAR1 (0.40) TDP1LMNAALDH1A1MAPK14KDM4E
SCHEMBL26152041 0.81 ABCC8 (0.39) TDP1ATMABCC8KCNJ11CCNT1
SCHEMBL30445465 0.81 ABCC8 (0.39) TDP1ATMABCC8KCNJ11CCNT1
SCHEMBL26152047 0.80 TDP1 (0.36) TDP1ATMABCC8KCNJ11CCNT1
SCHEMBL31058904 0.80 TDP1 (0.36) TDP1ATMABCC8KCNJ11CCNT1
SCHEMBL30445672 0.79 ABCC8 (0.40) 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 3 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
CN-118251389-A Pyridyl derivatives as sodium channel activators 泽农医药公司 2024-06-25 CN disclosed
WO-2023049369-A2 PYRIDINYL DERIVATIVES AS SODIUM CHANNEL ACTIVATORS XENON PHARMACEUTICALS INC. (CA) 2023-03-30 WO disclosed