SCHEMBL4227927

SCHEMBL4227927

O=[N+]([O-])/C(=C\c1ccc(Br)cc1)CO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 10/20 0.42
▸ G6PD P11413 1/20 0.40
▸ MAPT P10636 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ S1PR4 O95977 1/20 0.39
▸ S1PR1 P21453 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ JAK2 O60674 1/20 0.37
▸ MITF O75030 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37

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
SCHEMBL4227933 1.00 FBP1 (0.42) FBP1G6PDMAPTMEN1LMNA
SCHEMBL4227930 1.00 FBP1 (0.42) FBP1G6PDMAPTMEN1LMNA
SCHEMBL4631917 0.81 FBP1 (0.56) FBP1G6PDALDH1A1CYP3A4CYP2C9
SCHEMBL4631916 0.81 FBP1 (0.56) FBP1G6PDALDH1A1CYP3A4CYP2C9
SCHEMBL16030559 0.81 FBP1 (0.56) FBP1G6PDALDH1A1CYP3A4CYP2C9
SCHEMBL10401115 0.78 FBP1 (0.50) FBP1MAPTMEN1KMT2ANPSR1
SCHEMBL26976895 0.77 FBP1 (0.47) FBP1MAPTMEN1LMNAKMT2A
SCHEMBL27793303 0.76 FBP1 (0.70) FBP1MAPTMEN1LMNAKMT2A
SCHEMBL22451602 0.74 CCR5 (0.37) G6PDMAPTLMNAKMT2AALDH1A1
SCHEMBL29248045 0.74 FBP1 (0.49) FBP1MAPTMEN1LMNAKMT2A

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
WO-2009026961-A1 PROCESSES FOR THE PREPARATION OF PANCRATISTATIN AND PANCRATISTATIN ANALOGUES UNIVERSIDAD DE SANTIAGO DE COMPOSTELA (ES) 2009-03-05 — — WO disclosed
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