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Sugi Predict / Compounds / SCHEMBL28575302

SCHEMBL28575302

SCHEMBL28575302

CC(C(=O)O)N(C)C(=O)c1cc(F)ccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ DTYMK P23919 1/20 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
SCHEMBL5508386 0.82 ATM (0.51) ATMTDP1SMN1; SMN2ALDH1A1HTT
SCHEMBL29676355 0.77 ATM (0.44) ATMTDP1SMN1; SMN2ALDH1A1HTT
SCHEMBL28570861 0.77 ATM (0.44) ATMTDP1SMN1; SMN2ALDH1A1HTT
SCHEMBL9346884 0.76 SMN1; SMN2 (0.50) ATMTDP1SMN1; SMN2ALDH1A1HTT
SCHEMBL16123041 0.76 TDP1 (0.51) ATMTDP1SMN1; SMN2ALDH1A1HTT
SCHEMBL11212820 0.75 ATM (0.47) ATMTDP1SMN1; SMN2ALDH1A1
SCHEMBL357813 0.75 DTYMK (0.62) ATMTDP1ALDH1A1DTYMK
SCHEMBL16164055 0.75 GPR35 (0.47) ALDH1A1
SCHEMBL28569109 0.74 SMN1; SMN2 (0.41) ATMTDP1SMN1; SMN2ALDH1A1HTT
SCHEMBL28438281 0.74 DTYMK (0.60) ATMTDP1ALDH1A1DTYMK

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-112979658-B Preparation method of flumazenil 南湖实验室 2022-05-31 — — CN disclosed
CN-112979658-A Preparation method of flumazenil 南湖实验室 2021-06-18 — — CN disclosed