SCHEMBL11086248

SCHEMBL11086248

CN1CCSC1=NC(=S)Nc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 2/20 0.52
▸ RXFP1 Q9HBX9 2/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ TP53 P04637 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ ALOX12 P18054 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.47
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ MAPT P10636 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ TAS2R38 P59533 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ RYR2 Q92736 1/20 0.38
▸ GAA P10253 1/20 0.38

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
SCHEMBL11086245 1.00 GRM5 (0.52) GRM5RXFP1NPSR1SMN1; SMN2NPC1
SCHEMBL11251303 0.87 NPSR1 (0.49) GRM5RXFP1NPSR1SMN1; SMN2NPC1
SCHEMBL11251301 0.87 NPSR1 (0.49) GRM5RXFP1NPSR1SMN1; SMN2NPC1
SCHEMBL11267830 0.86 GRM5 (0.44) GRM5RXFP1NPSR1SMN1; SMN2NPC1
SCHEMBL11262133 0.86 GRM5 (0.53) GRM5RXFP1NPSR1SMN1; SMN2NPC1
SCHEMBL11267827 0.86 GRM5 (0.44) GRM5RXFP1NPSR1SMN1; SMN2NPC1
SCHEMBL11262129 0.86 GRM5 (0.53) GRM5RXFP1NPSR1SMN1; SMN2NPC1
SCHEMBL11233767 0.83 GRM5 (0.73) GRM5SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL11233774 0.83 GRM5 (0.73) GRM5SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL11253924 0.82 RXFP1 (0.47) GRM5RXFP1NPSR1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0009362-B1 HETEROCYCLIC DERIVATIVES OF GUANIDINE, THEIR PREPARATION AND PHARMACEUTICAL FORMULATIONS COMPRISING THEM McNeilab, Inc. (US) 1984-06-27 — — EP disclosed
US-4414211-A HYPOGLYCEMIC/- MCNEILAB, INC. (US) 1983-11-08 — — US disclosed
US-4342764-A Guanidine compounds, pharmaceutical compositions and use CIBA-GEIGY CORPORATION (US) 1982-08-03 — — US disclosed
EP-0011963-B1 HETEROCYCLIC CARBOXAMIDINE COMPOUNDS, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BEECHAM GROUP PLC (GB) 1982-07-14 — — EP disclosed
US-4282356-A HYPOGLYCEMIC BEECHAM GROUP LIMITED (GB) 1981-08-04 — — US disclosed
US-4250173-A HYPOGLYCEMIC AGENTS FOR TREATMENT OF DIABETES BEECHAM GROUP LIMITED (GB) 1981-02-10 — — US disclosed
EP-0011963-A1 Heterocyclic carboxamidine compounds, their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1980-06-11 — — EP disclosed
EP-0009362-A1 Heterocyclic derivatives of guanidine, their preparation and pharmaceutical formulations comprising them McNeilab, Inc. (US) 1980-04-02 — — EP disclosed
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