SCHEMBL11158642

SCHEMBL11158642

Cc1cccc(Oc2ccccc2NC(N)=S)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.55
▸ GAA P10253 3/20 0.55
▸ CYP1A2 P05177 1/20 0.50
▸ MAPT P10636 4/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ NPSR1 Q6W5P4 3/20 0.46
▸ ALOX12 P18054 3/20 0.46
▸ MTNR1B P49286 1/20 0.45
▸ L3MBTL1 Q9Y468 3/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ GPR55 Q9Y2T6 1/20 0.44
▸ ADRA2C P18825 1/20 0.43
▸ PKM P14618 1/20 0.42

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
SCHEMBL11164283 0.84 ADRA2C (0.47) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL7815135 0.83 ADRA2C (0.59) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL11166925 0.83 NPSR1 (0.62) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL11163831 0.81 MAPT (0.49) ALDH1A1GAACYP1A2MAPTMEN1
SCHEMBL11161015 0.81 EPHX1 (0.49) ALDH1A1GAACYP1A2MAPTMEN1
SCHEMBL11159292 0.80 EPHX1 (0.64) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL31522179 0.80 ADRA2C (0.72) ALDH1A1GAAMEN1KMT2AKDM4E
SCHEMBL11158772 0.77 ALDH1A1 (0.49) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL11166459 0.77 ALDH1A1 (0.50) ALDH1A1GAAMAPTMEN1KMT2A
Iodide SCHEMBL11445696 0.77 ALDH1A1 (0.51) ALDH1A1GAAMAPTMEN1KMT2A

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
Send feedback