SCHEMBL30196014

SCHEMBL30196014

O=C(O)c1ccc([N+](=O)[O-])c(F)c1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.45
AKR1C4 P17516 1/20 0.45
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
AKR1C1 Q04828 1/20 0.45
DTYMK P23919 1/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TTR P02766 1/20 0.41
PPOX P50336 1/20 0.41
CASP6 P55212 1/20 0.41
AR P10275 3/20 0.41
CYP3A4 P08684 3/20 0.38
ALDH1A1 P00352 3/20 0.38
ALOX15 P16050 2/20 0.38

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
SCHEMBL23581862 1.00 AKR1B1 (0.45) AKR1B1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL9671806 0.86 TSHR (0.44) AKR1B1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL24635525 0.84 MAPK1 (0.46) AKR1B1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL30792124 0.83 AKR1B1 (0.44) AKR1B1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL29190134 0.83 AKR1B1 (0.44) AKR1B1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL22070445 0.81 DTYMK (0.50) AKR1B1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL4332289 0.79 TSHR (0.58) AKR1B1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL19280702 0.78 TSHR (0.62) AKR1B1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL9748208 0.78 TDP1 (0.46) LMNAMAPTTSHRTDP1TTR
SCHEMBL3758271 0.76 TSHR (0.44) AKR1B1AKR1C4AKR1C3AKR1C2AKR1C1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113365994-B Pyridazinyl thiazole carboxamides 安斯泰来制药株式会社 2024-08-09 CN disclosed
CN-115590854-B Pyridazinyl thiazole carboxamides 安斯泰来制药株式会社 2024-06-07 CN disclosed
CN-115626919-A Pyridazinyl thiazole carboxamides 安斯泰来制药株式会社 2023-01-20 CN disclosed
CN-115590854-A Pyridazinyl thiazole carboxamides 安斯泰来制药株式会社(JP) 2023-01-13 CN disclosed