SCHEMBL11158910

SCHEMBL11158910

NC(=S)Nc1ccccc1Oc1cccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.54
▸ ALDH1A1 P00352 3/20 0.54
▸ GAA P10253 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ MAPT P10636 1/20 0.54
▸ CYP1A2 P05177 3/20 0.51
▸ CYP3A4 P08684 3/20 0.51
▸ CYP2C19 P33261 2/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ ALOX12 P18054 1/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ GLA P06280 1/20 0.43
▸ ESRRA P11474 1/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ HSD17B10 Q99714 1/20 0.41
▸ GRIN2D O15399 1/20 0.41
▸ GRIN3B O60391 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
SCHEMBL29522175 0.81 KDM4E (0.71) KDM4EALDH1A1GAAKMT2AMEN1
SCHEMBL260429 0.81 KDM4E (0.71) KDM4EALDH1A1GAAKMT2AMEN1
Hydrogen Sulfide SCHEMBL27456819 0.80 KDM4E (0.69) KDM4EALDH1A1GAAKMT2AMEN1
SCHEMBL27567335 0.80 KDM4E (0.69) KDM4EALDH1A1GAAKMT2AMEN1
Hydrazine SCHEMBL28848708 0.80 KDM4E (0.69) KDM4EALDH1A1GAAKMT2AMEN1
SCHEMBL11165947 0.78 MEN1 (0.57) KDM4EALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL9617102 0.78 HPGD (0.50) KDM4EALDH1A1GAAKMT2AMEN1
SCHEMBL11159755 0.78 ALDH1A1 (0.51) KDM4EALDH1A1GAAKMT2AMEN1
SCHEMBL11158772 0.78 ALDH1A1 (0.49) KDM4EALDH1A1GAAKMT2AMEN1
SCHEMBL7815135 0.77 ADRA2C (0.59) KDM4EALDH1A1GAAKMT2AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0017484-B1 2-IMIDAZOLINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND THE PHARMACEUTICAL COMPOSITION OF THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-04-06 — — EP disclosed
EP-0017484-A1 2-Imidazoline derivatives, process for the preparation thereof and the pharmaceutical composition of the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-10-15 — — EP disclosed
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