SCHEMBL9176313

SCHEMBL9176313

O=C(O)CCCN1C(=O)SC(=CC=Cc2ccccc2)C1=NN=CC=Cc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 1/20 0.72
▸ MMP2 P08253 1/20 0.72
▸ MMP13 P45452 1/20 0.72
▸ MMP14 P50281 1/20 0.72
▸ NPC1 O15118 5/20 0.53
▸ RAB9A P51151 5/20 0.52
▸ MEN1 O00255 5/20 0.52
▸ KMT2A Q03164 5/20 0.52
▸ GPR35 Q9HC97 2/20 0.52
▸ GPR55 Q9Y2T6 2/20 0.52
▸ TDP1 Q9NUW8 2/20 0.52
▸ HTT P42858 3/20 0.50
▸ LMNA P02545 2/20 0.50
▸ MITF O75030 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ XBP1 P17861 1/20 0.50
▸ GFER P55789 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ MAPT P10636 9/20 0.46
▸ ALDH1A1 P00352 3/20 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
SCHEMBL8729720 0.85 MMP1 (0.70) MMP1MMP2MMP13MMP14NPC1
SCHEMBL8729717 0.85 MMP1 (0.70) MMP1MMP2MMP13MMP14NPC1
SCHEMBL8727675 0.82 MMP1 (0.64) MMP1MMP2MMP13MMP14NPC1
SCHEMBL8727681 0.82 MMP1 (0.64) MMP1MMP2MMP13MMP14NPC1
SCHEMBL8733003 0.74 MAPT (0.65) MMP1MMP2MMP13MMP14NPC1
SCHEMBL8733001 0.74 MAPT (0.65) MMP1MMP2MMP13MMP14NPC1
SCHEMBL13446896 0.72 MMP1 (0.73) MMP1MMP2MMP13MMP14NPC1
SCHEMBL8181735 0.68 AKR1B1 (0.73) MMP1MMP2MMP13MMP14NPC1
SCHEMBL29214806 0.68 MMP1 (0.67) MMP1MMP2MMP13MMP14NPC1
SCHEMBL29214808 0.68 MMP1 (0.67) MMP1MMP2MMP13MMP14NPC1

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
US-5422360-A Hydrazonoimidazolidin-4-one derivatives; treatment of diabetes and aging disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-06-06 — — US disclosed
EP-0531812-A1 Maillard reaction inhibitor, process for producing it, composition containing it and the use thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-03-17 — — EP disclosed
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