SCHEMBL16956326

SCHEMBL16956326

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TSHR P16473 5/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ GPR35 Q9HC97 2/20 0.38
▸ TP53 P04637 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ CES2 O00748 1/20 0.37
▸ CES1 P23141 1/20 0.37
▸ TDP1 Q9NUW8 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ PTPRC P08575 1/20 0.35
▸ S100A4 P26447 1/20 0.35

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
SCHEMBL16956985 0.84 ALDH1A1 (0.38) LMNAMEN1HTTKMT2ATSHR
SCHEMBL16959250 0.81 HSD17B10 (0.51) LMNAMEN1KMT2ATSHRALDH1A1
SCHEMBL16954542 0.81 PTPRC (0.39) LMNATSHRALDH1A1GPR35TP53
SCHEMBL16957705 0.81 ALDH1A1 (0.51) LMNAHTTKMT2ATSHRALDH1A1
SCHEMBL16961858 0.81 ALDH1A1 (0.49) LMNAMEN1HTTKMT2ATSHR
SCHEMBL16958012 0.81 LMNA (0.42) LMNAMEN1HTTKMT2ATSHR
SCHEMBL16955468 0.80 CYP1A2 (0.41) MEN1HTTKMT2ATSHRALDH1A1
SCHEMBL16955947 0.80 ALDH1A1 (0.42) MEN1KMT2ATSHRALDH1A1GPR35
SCHEMBL16957422 0.79 TSHR (0.43) LMNAMEN1HTTKMT2ATSHR
SCHEMBL16955994 0.78 VCAM1 (0.48) LMNAMEN1HTTKMT2ATSHR

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