SCHEMBL12824538

SCHEMBL12824538

C/C=C(\C=N)c1ccc2cc(C(C)C)ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UGT2B7 P16662 1/20 0.41
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ATM Q13315 1/20 0.39
▸ MMP9 P14780 1/20 0.35
▸ HTT P42858 2/20 0.34
▸ TRPA1 O75762 1/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ CACNA1C Q13936 1/20 0.34
▸ TYR P14679 1/20 0.34
▸ HIF1A Q16665 2/20 0.33
▸ F2 P00734 2/20 0.33
▸ EIF4A3 P38919 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ PLG P00747 1/20 0.33

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
SCHEMBL23260542 0.77 F12 (0.52) MEN1KMT2AHIF1AGAAALOX12
SCHEMBL10140987 0.76 PLAU (0.32) F2PLGPLAUKLKB1KLK1
SCHEMBL23260538 0.75 KDM4E (0.54) MEN1KMT2AHTTPTGS1ALDH1A1
SCHEMBL20878620 0.74 PLAU (0.63) UGT2B7HTTF2PLGPLAU
Hydrogen Peroxide SCHEMBL9172508 0.73 UGT2B7 (0.60) UGT2B7MEN1KMT2AATMHTT
Hydrogen Peroxide SCHEMBL9840257 0.73 UGT2B7 (0.60) UGT2B7MEN1KMT2AATMHTT
SCHEMBL181347 0.73 UGT2B7 (0.58) UGT2B7MEN1KMT2AATMMMP9
SCHEMBL30031337 0.73 UGT2B7 (0.58) UGT2B7MEN1KMT2AATMMMP9
SCHEMBL10457062 0.72 CYP2A6 (0.56) UGT2B7MEN1KMT2AMMP9PTGS1
SCHEMBL8081677 0.72 KDM4E (0.55) UGT2B7EIF4A3

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-2011031934-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2011-03-17 — — WO disclosed
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