SCHEMBL7881307

SCHEMBL7881307

O=C(Nc1ccc(C(=O)O)cc1)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 1.00
▸ KMT2A Q03164 8/20 1.00
▸ NPC1 O15118 5/20 0.73
▸ MAPT P10636 4/20 0.73
▸ MAPK1 P28482 3/20 0.73
▸ LMNA P02545 2/20 0.73
▸ SMN1; SMN2 Q16637 2/20 0.73
▸ GAA P10253 1/20 0.73
▸ TDP1 Q9NUW8 1/20 0.72
▸ RAB9A P51151 4/20 0.66
▸ NPSR1 Q6W5P4 1/20 0.66
▸ MYOC Q99972 1/20 0.66
▸ SRD5A2 P31213 2/20 0.66
▸ MITF O75030 1/20 0.61
▸ POLB P06746 1/20 0.61
▸ PKM P14618 1/20 0.60
▸ PAX8 Q06710 1/20 0.60
▸ P4HTM Q9NXG6 1/20 0.57
▸ CA12 O43570 1/20 0.56
▸ CA1 P00915 1/20 0.56

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
SCHEMBL1177730 0.89 MEN1 (1.00) MEN1KMT2ANPC1MAPTMAPK1
SCHEMBL6302157 0.89 MEN1 (1.00) MEN1KMT2ANPC1MAPTMAPK1
SCHEMBL8651307 0.89 MEN1 (0.79) MEN1KMT2ANPC1MAPTMAPK1
SCHEMBL7881346 0.88 KMT2A (0.79) MEN1KMT2ANPC1MAPTMAPK1
SCHEMBL6855014 0.88 KMT2A (0.79) MEN1KMT2ANPC1MAPTMAPK1
SCHEMBL7696438 0.88 KMT2A (0.79) MEN1KMT2ANPC1MAPTMAPK1
SCHEMBL11055960 0.86 MEN1 (0.85) MEN1KMT2ANPC1MAPTMAPK1
SCHEMBL5465076 0.86 TDP1 (0.78) MEN1KMT2ANPC1MAPTMAPK1
SCHEMBL14877369 0.85 CES1 (0.75) MEN1KMT2ANPC1MAPTMAPK1
4-Nitrobenzoic Acid SCHEMBL43476 0.85 TDP1 (1.00) MEN1KMT2AMAPK1LMNAGAA

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
US-6187285-B1 IN PARTICULAR MAGNETIC RESONANCE IMAGING (MRI) FOR MAGNETIC CATIONS. GUERBET (FR) 2001-02-13 — — US disclosed
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