SCHEMBL30745172

SCHEMBL30745172

O=c1ccc(-c2ccc(F)c(F)c2)n[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
PDE4A P27815 3/20 0.55
PDE4B Q07343 3/20 0.55
PDE4C Q08493 3/20 0.55
PDE4D Q08499 3/20 0.55
CYP1A2 P05177 2/20 0.55
PDE3B Q13370 5/20 0.53
PDE3A Q14432 5/20 0.53
SMN1; SMN2 Q16637 2/20 0.50
TP53 P04637 1/20 0.50
CYP2C9 P11712 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
CYP2C19 P33261 1/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
GPR119 Q8TDV5 2/20 0.46

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
SCHEMBL29151105 1.00 LMNA (0.56) LMNAMEN1KMT2APDE4APDE4B
SCHEMBL11743874 0.85 SMN1; SMN2 (0.55) LMNAMEN1KMT2APDE4APDE4B
SCHEMBL12595734 0.85 LMNA (0.60) LMNAMEN1KMT2APDE4APDE4B
SCHEMBL8305159 0.85 LMNA (0.51) LMNAMEN1KMT2APDE4APDE4B
SCHEMBL31703201 0.85 LMNA (0.51) LMNAMEN1KMT2APDE4APDE4B
SCHEMBL11733995 0.85 LMNA (0.51) LMNAMEN1KMT2APDE4APDE4B
SCHEMBL1951453 0.84 CYP1A2 (0.56) LMNAMEN1KMT2APDE4APDE4B
SCHEMBL1769907 0.82 KDR (0.50) LMNAMEN1KMT2APDE4APDE4B
SCHEMBL27624079 0.81 PDE4A (0.48) LMNAMEN1KMT2APDE4APDE4B
SCHEMBL3452908 0.80 LMNA (0.80) LMNAMEN1KMT2APDE4APDE4B

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
CN-117510470-A Pyridazinone compounds and application thereof 暨南大学 2024-02-06 CN disclosed