SCHEMBL28705759

SCHEMBL28705759

O=C(O)c1nc2c(n1Cc1ccccc1C(F)(F)F)CCNC2

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FABP3 P05413 1/20 0.45
▸ FABP4 P15090 1/20 0.45
▸ KDM4E B2RXH2 7/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ TDP1 Q9NUW8 3/20 0.41
▸ ATM Q13315 3/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KIF11 P52732 2/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ PDCD1 Q15116 1/20 0.37
▸ CD274 Q9NZQ7 1/20 0.37
▸ SLC6A2 P23975 2/20 0.36
▸ SLC6A4 P31645 2/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ PPARG P37231 1/20 0.36

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
SCHEMBL31574268 0.90 SCD (0.43) FABP3FABP4KDM4EALDH1A1TDP1
SCHEMBL20817828 0.88 KIF11 (0.43) FABP3FABP4KDM4EALDH1A1TDP1
SCHEMBL20818900 0.83 TDP1 (0.42) FABP3FABP4KDM4EALDH1A1TDP1
SCHEMBL20817991 0.82 TDP1 (0.41) FABP3FABP4KDM4EALDH1A1TDP1
SCHEMBL20818468 0.80 NPSR1 (0.44) FABP3FABP4KDM4EALDH1A1TDP1
SCHEMBL20831789 0.79 TDP1 (0.39) FABP3FABP4KDM4EALDH1A1TDP1
SCHEMBL20831855 0.76 TDP1 (0.39) FABP3FABP4KDM4EALDH1A1TDP1
SCHEMBL31574237 0.75 FABP3 (0.42) FABP3FABP4KDM4EALDH1A1TDP1
SCHEMBL20818480 0.74 TRPC5 (0.40) KDM4EALDH1A1TDP1ATMNPSR1
SCHEMBL20817928 0.74 TRPC5 (0.51) KDM4EALDH1A1TDP1ATMKMT2A

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
CN-113939295-B Pyridazinones and methods of use thereof 金翅雀生物公司 2025-05-16 — — CN disclosed
CN-113939295-A Pyridazinones and methods of use thereof 金翅雀生物公司 2022-01-14 — — CN disclosed
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