SCHEMBL9598331

SCHEMBL9598331

Cc1nc2sc3c(c2c(N)c1C(=O)O)CCN(C(=O)OC(C)(C)C)C3

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.64
PRKCI P41743 3/20 0.49
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
P2RX3 P56373 4/20 0.48
MKNK1 Q9BUB5 8/20 0.47

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
SCHEMBL9598196 0.86 ADORA1 (0.43) ADORA1KDM4EMAPT
SCHEMBL9597904 0.85 BPTF (0.46) ADORA1PRKCIKDM4EMAPT
SCHEMBL9598034 0.82 PRKCI (0.48) ADORA1PRKCIKDM4EMAPTP2RX3
SCHEMBL9599417 0.81 KDM4E (0.57) ADORA1KDM4EMAPT
SCHEMBL4059322 0.79 P2RX3 (0.52) ADORA1PRKCIP2RX3MKNK1
SCHEMBL3499018 0.78 ADORA1 (1.00) ADORA1KDM4EMAPTP2RX3MKNK1
SCHEMBL9603759 0.78 GABRP (0.41) ADORA1KDM4EMAPT
SCHEMBL27302182 0.78 ADORA1 (0.77) ADORA1KDM4EMAPTP2RX3MKNK1
SCHEMBL7885804 0.77 MKNK1 (0.49) ADORA1PRKCIKDM4EP2RX3MKNK1
SCHEMBL618092 0.74 MAPT (0.54) KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5268007-A Containing carbamate group THE LUBRIZOL CORPORATION (US) 1993-12-07 US disclosed
WO-1993013104-A1 C.N.S. ACTIVE TRICYCLIC THIENOPYRIDINE DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1993-07-08 WO disclosed
US-5093018-A Dioxolanes and thio analogs, derivatives thereof and lubricants and fuels containing same THE LUBRIZOL CORPORATION (US) 1992-03-03 US disclosed
EP-0295298-B1 DIOXOLANES AND THIO ANALOGS, DERIVATING THEREOF AND LUBRICANTS AND FUELS CONTAINING SAME The Lubrizol Corporation (US) 1991-10-23 EP disclosed
US-4906253-A Dioxolanes and thio analogs, derivatives thereof and lubricants and fuels containing same THE LUBRIZOL CORPORATION (US) 1990-03-06 US disclosed
EP-0295298-A1 DIOXOLANES AND THIO ANALOGS, DERIVATING THEREOF AND LUBRICANTS AND FUELS CONTAINING SAME. LUBRIZOL CORP (US) 1988-12-21 EP disclosed
US-4792411-A Dioxolanes and thio analogs, derivatives thereof and lubricants and fuels containing same THE LUBRIZOL CORPORATION (US) 1988-12-20 US disclosed