SCHEMBL16956517

SCHEMBL16956517

[CH2]C(CF)c1cc([N+](=O)[O-])ccc1OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.48
▸ KMT2A Q03164 5/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ LMNA P02545 3/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.48
▸ TAAR1 Q96RJ0 1/20 0.46
▸ NPBWR1 P48145 1/20 0.44
▸ MCHR1 Q99705 1/20 0.44
▸ CYSLTR2 Q9NS75 1/20 0.42
▸ CYSLTR1 Q9Y271 1/20 0.42
▸ POLB P06746 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ PTGS2 P35354 1/20 0.40
▸ TDP1 Q9NUW8 3/20 0.40
▸ MEN1 O00255 4/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ S1PR4 O95977 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPK1 P28482 1/20 0.38

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
SCHEMBL16961134 0.91 CYP19A1 (0.48) MAPTKMT2AALDH1A1LMNANPSR1
SCHEMBL16959328 0.87 TDP1 (0.51) MAPTKMT2AALDH1A1LMNANPSR1
SCHEMBL16952486 0.86 MAPT (0.48) MAPTKMT2AALDH1A1LMNANPSR1
SCHEMBL16958113 0.84 MAPT (0.51) MAPTKMT2AALDH1A1LMNANPSR1
SCHEMBL16956438 0.82 MAPT (0.49) MAPTKMT2AALDH1A1LMNANPSR1
SCHEMBL16960133 0.81 MAPT (0.41) MAPTKMT2AALDH1A1LMNATAAR1
SCHEMBL16959245 0.80 ALDH1A1 (0.51) MAPTKMT2AALDH1A1LMNAHTT
SCHEMBL16952264 0.78 ALDH1A1 (0.42) MAPTKMT2AALDH1A1LMNANPSR1
SCHEMBL16950964 0.78 ALDH1A1 (0.50) MAPTKMT2AALDH1A1LMNAPOLB
SCHEMBL16957938 0.78 KDM4E (0.42) MAPTKMT2AALDH1A1LMNATAAR1

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
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 — — EP disclosed
Send feedback