SCHEMBL4799090

SCHEMBL4799090

O=C(CCN1C(=O)C(=Cc2cccs2)SC1=S)Nc1cccc(C(=O)O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 18/20 1.00
▸ KMT2A Q03164 18/20 1.00
▸ POLB P06746 8/20 1.00
▸ MAPT P10636 6/20 0.90
▸ RAB9A P51151 3/20 0.90
▸ GAA P10253 2/20 0.90
▸ KDM4E B2RXH2 1/20 0.90
▸ TDP1 Q9NUW8 3/20 0.83
▸ PKM P14618 1/20 0.80
▸ CTDSP1 Q9GZU7 5/20 0.73
▸ BLM P54132 2/20 0.73
▸ ALDH1A1 P00352 1/20 0.73
▸ NPC1 O15118 2/20 0.71
▸ PTPN7 P35236 1/20 0.70
▸ PTPN12 Q05209 1/20 0.70
▸ GPR35 Q9HC97 1/20 0.70
▸ PTPN22 Q9Y2R2 1/20 0.70
▸ GPR55 Q9Y2T6 1/20 0.70
▸ USP2 O75604 1/20 0.67
▸ RECQL P46063 1/20 0.67

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
SCHEMBL12008841 1.00 MEN1 (1.00) MEN1KMT2APOLBMAPTRAB9A
SCHEMBL4799078 1.00 MEN1 (1.00) MEN1KMT2APOLBMAPTRAB9A
SCHEMBL12009006 0.95 KMT2A (1.00) MEN1KMT2APOLBMAPTRAB9A
SCHEMBL12008834 0.90 KMT2A (1.00) MEN1KMT2APOLBMAPTRAB9A
SCHEMBL12008948 0.89 MEN1 (0.85) MEN1KMT2APOLBMAPTRAB9A
SCHEMBL12008994 0.89 MEN1 (1.00) MEN1KMT2APOLBMAPTRAB9A
SCHEMBL12008929 0.88 MEN1 (0.81) MEN1KMT2APOLBMAPTRAB9A
SCHEMBL12008985 0.88 MEN1 (0.81) MEN1KMT2APOLBMAPTRAB9A
SCHEMBL12008951 0.88 MEN1 (0.81) MEN1KMT2APOLBMAPTRAB9A
SCHEMBL12008572 0.88 KMT2A (0.89) MEN1KMT2APOLBMAPTRAB9A

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
US-20050142629-A1 Identification of active-site inhibitors of glycosyltransferases using a generalizable high-throughput screen NATIONAL INSTITUTES OF HEALTH 2005-06-30 — — US claimed
US-7344850-B2 Identification of active-site inhibitors of glycosyltransferases using a generalizable high-throughput screen PRINCETON UNIVERSITY (US) 2008-03-18 — — US disclosed
US-20050142629-A1 Identification of active-site inhibitors of glycosyltransferases using a generalizable high-throughput screen NATIONAL INSTITUTES OF HEALTH 2005-06-30 — — US disclosed
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