SCHEMBL8686543

SCHEMBL8686543

O=C1NC(=O)c2c1ccc([N+](=O)[O-])c2CC=CO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.39
▸ CYP3A4 P08684 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ MAOA P21397 4/20 0.36
▸ MAOB P27338 3/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ BCHE P06276 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ CES1 P23141 1/20 0.34
▸ CASP3 P42574 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ CHEK1 O14757 4/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32

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
SCHEMBL9620076 0.79 MAOA (0.38) POLBCYP3A4TDP1MAOAMAOB
SCHEMBL571851 0.79 CYP3A4 (0.42) POLBCYP3A4TDP1MAOAMAOB
SCHEMBL28869824 0.79 CYP3A4 (0.42) POLBCYP3A4TDP1MAOAMAOB
SCHEMBL27459575 0.74 SMN1; SMN2 (0.39) POLBCYP3A4TDP1MAOAMAOB
SCHEMBL28133852 0.73 CYP3A4 (0.46) POLBCYP3A4TDP1MAOAMAOB
SCHEMBL28192768 0.72 CYP3A4 (0.37) POLBCYP3A4TDP1MAOAMAOB
SCHEMBL9503458 0.71 CYP3A4 (0.51) POLBCYP3A4TDP1MAOAMAOB
SCHEMBL768176 0.70 TDP1 (0.46) POLBCYP3A4TDP1MAOAMAOB
SCHEMBL19358248 0.70 CYP3A4 (0.46) POLBCYP3A4TDP1MAOAMAOB
SCHEMBL8098610 0.70 TDP1 (0.46) POLBCYP3A4TDP1MAOAMAOB

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
US-5719295-A FROM N-ALKYL NITROPHTHALAMIDE GENERAL ELECTRIC COMPANY (US) 1998-02-17 — — US claimed
EP-0684232-A1 Process for preparing bis(ether anhydrides) GENERAL ELECTRIC COMPANY (US) 1995-11-29 — — EP claimed
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