SCHEMBL18871494

SCHEMBL18871494

CC1(C)CC(=O)C(=CN=Nc2ccc(N=NN=NN=NN=N)cc2)C(=O)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 13/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ TP53 P04637 2/20 0.36
▸ ATM Q13315 1/20 0.36
▸ MAPT P10636 6/20 0.35
▸ KMT2A Q03164 5/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ HPGD P15428 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ TSHR P16473 3/20 0.32
▸ LMNA P02545 1/20 0.31
▸ APP P05067 1/20 0.30
▸ CASP1 P29466 1/20 0.30
▸ CASP7 P55210 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL18871441 0.80 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2TP53ATMMAPT
SCHEMBL18870971 0.77 TSHR (0.50) ALDH1A1SMN1; SMN2TP53ATMMAPT
SCHEMBL18871447 0.67 GAA (0.42) ALDH1A1SMN1; SMN2TP53MAPTKMT2A
SCHEMBL18871525 0.60 ATM (0.36) ALDH1A1ATMMAPTKMT2AMEN1
SCHEMBL18871134 0.59 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2TP53MAPTKMT2A
SCHEMBL60469 0.57 ALDH1A1 (0.47) ALDH1A1TP53MAPTKMT2AMEN1
SCHEMBL18871416 0.55 ALDH1A1 (0.46) ALDH1A1TP53ATMMAPTKMT2A
SCHEMBL581954 0.55 ALDH1A1 (0.46) ALDH1A1TP53MAPTKMT2AMEN1
SCHEMBL7648836 0.55 ALDH1A1 (0.46) ALDH1A1TP53ATMMAPTKMT2A
SCHEMBL7617454 0.55 ALDH1A1 (0.42) ALDH1A1TP53MAPTKMT2AHPGD

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-2477491-B1 PLANT ADDITIVES AND USES THEREOF TO MODULATE THE SYNTHESIS OF MEMBRANE GLYCEROLIPIDS IN PLANTS COMMISSARIAT L ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2017-05-17 — — EP disclosed
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