SCHEMBL16958012

SCHEMBL16958012

[CH2]C(C=C)c1cc([N+](=O)[O-])ccc1I

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ ERN1 O75460 1/20 0.40
▸ TSHR P16473 4/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ GPR35 Q9HC97 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ GAA P10253 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ TGM2 P21980 1/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ HSD17B10 Q99714 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
SCHEMBL16957422 0.81 TSHR (0.43) LMNAKMT2AMEN1HTTTSHR
SCHEMBL16956326 0.81 LMNA (0.40) LMNAKMT2AMEN1HTTTSHR
SCHEMBL16953608 0.80 PTPRC (0.41) LMNAERN1TSHRALDH1A1GPR35
SCHEMBL16958616 0.80 ALDH1A1 (0.51) LMNAKMT2AMEN1HTTTSHR
SCHEMBL16951755 0.80 HSD17B10 (0.55) LMNAKMT2AMEN1HTTTSHR
SCHEMBL16952989 0.80 ALDH1A1 (0.55) LMNAKMT2AHTTTSHRALDH1A1
SCHEMBL16960626 0.79 ALDH1A1 (0.44) LMNAKMT2AMEN1ERN1TSHR
SCHEMBL16958430 0.78 VCAM1 (0.51) LMNAKMT2AMEN1HTTTSHR
SCHEMBL16956985 0.78 ALDH1A1 (0.38) LMNAKMT2AMEN1HTTTSHR
SCHEMBL16953738 0.78 POLB (0.41) LMNAKMT2AMEN1HTTTSHR

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
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