SCHEMBL29972976

SCHEMBL29972976

Nc1c(F)cc([N+](=O)[O-])cc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 2/20 0.44
▸ RAB9A P51151 5/20 0.43
▸ NPC1 O15118 4/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ ALDH1A1 P00352 5/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ PTGDR2 Q9Y5Y4 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ PTPRC P08575 2/20 0.39
▸ BCHE P06276 1/20 0.39
▸ ACHE P22303 1/20 0.39

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
SCHEMBL3924698 0.82 ALDH1A1 (0.54) PTGS2RAB9ANPC1MEN1KMT2A
SCHEMBL1457013 0.81 ALDH1A1 (0.50) PTGS2RAB9ANPC1MEN1KMT2A
SCHEMBL2785910 0.78 ALDH1A1 (0.56) MEN1KMT2AALDH1A1TDP1POLB
SCHEMBL10452127 0.78 PTGS2 (0.43) PTGS2RAB9ANPC1MEN1KMT2A
SCHEMBL10684532 0.78 RAB9A (0.58) PTGS2RAB9ANPC1MEN1KMT2A
SCHEMBL6573092 0.78 PTGS2 (0.55) PTGS2RAB9ANPC1MEN1KMT2A
SCHEMBL11594461 0.77 PTGS2 (0.48) PTGS2RAB9ANPC1MEN1KMT2A
SCHEMBL5935200 0.76 PTGS2 (0.56) PTGS2RAB9ANPC1MEN1KMT2A
SCHEMBL8889748 0.74 TDP1 (0.51) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL28225493 0.74 RAB9A (0.47) PTGS2RAB9ANPC1MEN1KMT2A

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
EP-4081199-A2 LIPOXYGENASE INHIBITORS SRI International (US) 2022-11-02 — — EP disclosed
Send feedback