SCHEMBL6753207

SCHEMBL6753207

O=c1[nH]c(=O)n(C2COC(CO)O2)cc1Br

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
ALDH1A1 P00352 1/20 0.54
POLB P06746 1/20 0.54
KMT2A Q03164 1/20 0.54
PYGM P11217 1/20 0.52
TK1 P04183 3/20 0.44
LMNA P02545 2/20 0.43
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALOX12 P18054 1/20 0.40
ADRA1A P35348 1/20 0.40

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
SCHEMBL6753208 1.00 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1POLBKMT2APYGM
SCHEMBL27502178 0.88 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1POLBKMT2APYGM
SCHEMBL1130181 0.84 LMNA (0.55) ALDH1A1POLBTK1LMNATSHR
SCHEMBL1027300 0.84 TK1 (0.60) SMN1; SMN2PYGMTK1LMNACYP1A2
SCHEMBL3415528 0.84 TK1 (0.60) SMN1; SMN2PYGMTK1LMNACYP1A2
SCHEMBL6760136 0.84 LMNA (0.55) ALDH1A1POLBTK1LMNATSHR
SCHEMBL7701755 0.84 LMNA (0.55) ALDH1A1POLBTK1LMNATSHR
SCHEMBL1129572 0.84 LMNA (0.55) ALDH1A1POLBTK1LMNATSHR
SCHEMBL1129570 0.84 LMNA (0.55) ALDH1A1POLBTK1LMNATSHR
SCHEMBL6752642 0.84 LMNA (0.60) SMN1; SMN2TK1LMNATSHRPMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0956021-B1 L-BETA-DIOXOLANE URIDINE ANALOGS FOR TREATING AND PREVENTING INFECTIONS BY EBV, VZV AND HV-8 UNIV YALE (US) 2004-11-03 EP disclosed
US-6022876-A KAPOSI'S SARCOMA; VARICELLA-ZOSTER VIRUS YALE UNIVERSITY (US) 2000-02-08 US disclosed
EP-0956021-A1 L-$g(b)-DIOXOLANE URIDINE ANALOGS AND METHODS FOR TREATING AND PREVENTING VIRUS INFECTIONS YALE UNIVERSITY (US) 1999-11-17 EP disclosed
US-5792773-A L-β-dioxolane uridine analog administration for treating Epstein-Barr virus infection YALE UNIVERSITY (US) 1998-08-11 US disclosed
WO-1998020879-A1 L-β-DIOXOLANE URIDINE ANALOGS AND METHODS FOR TREATING AND PREVENTING VIRUS INFECTIONS YALE UNIVERSITY (US) 1998-05-22 WO disclosed