SCHEMBL11163790

SCHEMBL11163790

O=C(NC(=S)Nc1cc(N2CCCC2)ccc1Oc1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.57
▸ LMNA P02545 3/20 0.57
▸ NPSR1 Q6W5P4 3/20 0.57
▸ MAPT P10636 12/20 0.55
▸ MEN1 O00255 5/20 0.55
▸ KMT2A Q03164 5/20 0.55
▸ TDP1 Q9NUW8 5/20 0.55
▸ ALOX12 P18054 2/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ EPHX1 P07099 3/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ HTT P42858 2/20 0.51
▸ MAPK1 P28482 2/20 0.50
▸ GAA P10253 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.48
▸ RECQL P46063 1/20 0.48
▸ TP53 P04637 2/20 0.47
▸ PKM P14618 1/20 0.46

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
SCHEMBL11154017 0.91 MAPT (0.65) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL11154642 0.83 MEN1 (0.45) ALDH1A1LMNANPSR1MAPTMEN1
SCHEMBL11161160 0.81 EPHX1 (0.59) ALDH1A1LMNANPSR1MAPTMEN1
SCHEMBL11159073 0.80 EPHX1 (0.69) ALDH1A1LMNANPSR1MAPTALOX12
SCHEMBL11171201 0.80 EPHX1 (0.67) ALDH1A1NPSR1MAPTMEN1KMT2A
SCHEMBL3053531 0.79 MAPT (0.66) ALDH1A1LMNANPSR1MAPTMEN1
SCHEMBL11105097 0.79 EPHX1 (0.66) ALDH1A1LMNANPSR1MAPTMEN1
SCHEMBL11157014 0.79 EPHX1 (0.56) ALDH1A1LMNANPSR1MAPTMEN1
SCHEMBL11163863 0.79 EPHX1 (0.65) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL11162636 0.78 ALDH1A1 (0.67) ALDH1A1LMNANPSR1MAPTMEN1

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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