SCHEMBL8310894

SCHEMBL8310894

O=C1NC(=O)C(=Cc2ccc(O[C@H]3CO[C@H]4[C@@H]3OC[C@H]4Oc3ccc(C=C4SC(=O)NC4=O)cc3)cc2)S1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 10/20 0.60
▸ PIM1 P11309 5/20 0.57
▸ PIM2 Q9P1W9 5/20 0.57
▸ AKR1B1 P15121 2/20 0.57
▸ NPC1 O15118 1/20 0.57
▸ RAB9A P51151 1/20 0.57
▸ MAOA P21397 2/20 0.53
▸ MAOB P27338 2/20 0.53
▸ PTGS2 P35354 1/20 0.53
▸ GPR35 Q9HC97 1/20 0.53
▸ PTPN1 P18031 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ PIM3 Q86V86 1/20 0.51

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
SCHEMBL6865620 0.75 HPGD (1.00) HPGDPIM1PIM2AKR1B1NPC1
SCHEMBL1299639 0.75 HPGD (1.00) HPGDPIM1PIM2AKR1B1NPC1
SCHEMBL1299642 0.75 HPGD (1.00) HPGDPIM1PIM2AKR1B1NPC1
SCHEMBL8312155 0.75 ALDH1A1 (0.59) HPGD
SCHEMBL29029500 0.74 HPGD (0.78) HPGDPIM1PIM2AKR1B1NPC1
SCHEMBL29029499 0.74 HPGD (0.78) HPGDPIM1PIM2AKR1B1NPC1
SCHEMBL12259371 0.74 PIM1 (0.60) HPGDPIM1PIM2AKR1B1NPC1
SCHEMBL9212605 0.73 PIM1 (0.74) HPGDPIM1PIM2MAOAMAOB
SCHEMBL9212601 0.73 PIM1 (0.74) HPGDPIM1PIM2MAOAMAOB
SCHEMBL1247705 0.73 PIM1 (1.00) HPGDPIM1PIM2AKR1B1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0597102-B1 NOVEL BISHETEROCYCLIC DERIVATIVE OR SALT THEREOF AND HYPOGLYCEMIC COMPOSITION YAMANOUCHI PHARMA CO LTD (JP) 1999-01-07 — — EP disclosed
US-5508296-A HYPOGLYCEMIC AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1996-04-16 — — US disclosed
EP-0597102-A1 NOVEL BISHETEROCYCLIC DERIVATIVE OR SALT THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1994-05-18 — — EP disclosed
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