SCHEMBL6204652

SCHEMBL6204652

O=[N+]([O-])c1cc(CO)ccc1OC(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 9/20 0.44
MAPT P10636 5/20 0.44
HTT P42858 2/20 0.42
LMNA P02545 3/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.39
ALPG P10696 1/20 0.38
PTPN1 P18031 1/20 0.37
PKM P14618 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL5913800 0.93 TTR (0.45) TTRSMN1; SMN2ALDH1A1MAPTHTT
SCHEMBL16952669 0.88 TTR (0.47) TTRSMN1; SMN2ALDH1A1MAPTMAPK1
SCHEMBL6206074 0.85 LOXL2 (0.42) SMN1; SMN2ALDH1A1MAPTHTTLMNA
SCHEMBL5913357 0.85 HTT (0.42) TTRSMN1; SMN2ALDH1A1MAPTHTT
SCHEMBL5913083 0.81 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1MAPTHTTLMNA
SCHEMBL1667910 0.80 TTR (0.68) TTRSMN1; SMN2ALDH1A1MAPTHTT
SCHEMBL16954759 0.79 TTR (0.50) TTRSMN1; SMN2ALDH1A1MAPTHTT
SCHEMBL9940031 0.78 CA1 (0.43) ALDH1A1MAPTHTTLMNAGAA
SCHEMBL30062398 0.78 HSPB1 (0.56) TTRSMN1; SMN2ALDH1A1MAPTHTT
SCHEMBL397137 0.78 HSPB1 (0.56) TTRSMN1; SMN2ALDH1A1MAPTHTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
CN-1738798-A Indole derivatives as somatostatin agonists or antagonists TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2006-02-22 CN disclosed
EP-1562898-A1 INDOLE DERIVATIVES AS SOMATOSTATIN AGONISTS OR ANTAGONISTS Takeda Pharmaceutical Company Limited (JP) 2005-08-17 EP disclosed
WO-2004046107-A1 INDOLE DERIVATIVES AS SOMATOSTATIN AGONISTS OR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-06-03 WO disclosed