SCHEMBL11704682

SCHEMBL11704682

O=C(O)c1cccc(NO)c1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PBRM1 Q86U86 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ PKM P14618 1/20 0.44
▸ FABP4 P15090 2/20 0.44
▸ AKR1C3 P42330 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ PTGS2 P35354 2/20 0.43
▸ HIF1A Q16665 2/20 0.43
▸ AKR1B10 O60218 1/20 0.43
▸ TRPA1 O75762 1/20 0.43
▸ ABCB11 O95342 1/20 0.43
▸ DHFR P00374 1/20 0.43
▸ MPO P05164 1/20 0.43
▸ CHRM1 P11229 1/20 0.43

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
SCHEMBL12041920 0.83 PBRM1 (0.54) PBRM1ALDH1A1ALOX15MEN1KMT2A
SCHEMBL10316415 0.82 NPC1 (0.57) ALDH1A1MEN1KMT2AAKR1C3LMNA
SCHEMBL2026957 0.82 PBRM1 (0.49) PBRM1ALDH1A1ALOX15MEN1KMT2A
SCHEMBL9472562 0.82 PBRM1 (0.49) PBRM1ALDH1A1ALOX15MEN1KMT2A
SCHEMBL2695105 0.80 ALDH1A1 (0.59) PBRM1ALDH1A1ALOX15MEN1KMT2A
SCHEMBL30727557 0.80 ALDH1A1 (0.59) PBRM1ALDH1A1ALOX15MEN1KMT2A
SCHEMBL30727561 0.80 ALDH1A1 (0.59) PBRM1ALDH1A1ALOX15MEN1KMT2A
SCHEMBL222251 0.80 ALDH1A1 (0.59) PBRM1ALDH1A1ALOX15MEN1KMT2A
SCHEMBL23288 0.79 ALDH1A1 (0.63) PBRM1ALDH1A1ALOX15KMT2AAKR1C3
SCHEMBL711798 0.79 ALDH1A1 (0.63) PBRM1ALDH1A1ALOX15KMT2AAKR1C3

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-4007201-A ANTIDIABETIC KYORIN PHARMACEUTICAL CO. LTD. (JA) 1977-02-08 — — US disclosed
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