SCHEMBL17667736

SCHEMBL17667736

O=C=NCc1cccc(NC(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.44
▸ GAA P10253 2/20 0.44
▸ NPSR1 Q6W5P4 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ HDAC3 O15379 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ HDAC9 Q9UKV0 1/20 0.41
▸ HDAC5 Q9UQL6 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ NOS3 P29474 1/20 0.41

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
SCHEMBL9824713 0.82 MGLL (0.45) MAPTSMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL14895046 0.81 MGLL (0.51) MAPTSMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL2722098 0.80 MAPT (0.49) MAPTGAANPSR1SMN1; SMN2HDAC3
SCHEMBL7443011 0.80 POLB (0.40) GAASMN1; SMN2NPC1POLBRAB9A
SCHEMBL28478205 0.79 GRIN2B (0.42) SMN1; SMN2ALDH1A1HPGDNOS3NOS1
SCHEMBL5465655 0.78 MIF (0.47) SMN1; SMN2ALDH1A1LMNAHPGDNOS3
SCHEMBL26785 0.78 MIF (0.47) SMN1; SMN2ALDH1A1LMNAHPGDNOS3
SCHEMBL28945868 0.78 MAPT (0.42) MAPTGAANPSR1SMN1; SMN2HDAC3
SCHEMBL4319038 0.78 MAPT (0.64) MAPTGAASMN1; SMN2HDAC3HDAC4
SCHEMBL1028484 0.78 PDK1 (0.56) MAPTGAANPSR1SMN1; SMN2HDAC3

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-2771315-B1 METHOD FOR PREPARING A COMPOUND COMPRISING AT LEAST ONE beta-HYDROXY-URETHANE UNIT AND/OR AT LEAST ONE gamma-HYDROXY-URETHANE UNIT SOCIÉTÉ D EXPL GÉNÉRALE DE PRODUITS IND S E G SAS (FR) 2016-04-13 — — EP disclosed
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