SCHEMBL8925599

SCHEMBL8925599

O=C(CI)NCC#Cc1cn([C@@H]2CC(O)[C@H](CO)O2)c(=O)[nH]c1=O

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TK1 P04183 3/20 0.59
▸ LMNA P02545 2/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ TK2 O00142 1/20 0.55
▸ CYP1A2 P05177 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ BLM P54132 1/20 0.54
▸ PMP22 Q01453 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ ALOX12 P18054 1/20 0.53
▸ ADRA1A P35348 1/20 0.53

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
SCHEMBL8925580 1.00 TK1 (0.59) TK1LMNASMN1; SMN2TK2CYP1A2
SCHEMBL25470065 0.93 TK1 (0.57) TK1LMNASMN1; SMN2TK2CYP1A2
SCHEMBL13222053 0.92 LMNA (0.58) TK1LMNASMN1; SMN2TK2CYP1A2
SCHEMBL29757418 0.90 TK1 (0.58) TK1LMNASMN1; SMN2TK2CYP1A2
SCHEMBL8926757 0.89 TK1 (0.52) TK1LMNASMN1; SMN2TK2CYP1A2
SCHEMBL8926762 0.89 TK1 (0.52) TK1LMNASMN1; SMN2TK2CYP1A2
SCHEMBL15115328 0.88 TK1 (0.52) TK1LMNASMN1; SMN2TK2ALOX12
SCHEMBL18214117 0.87 LMNA (0.59) TK1LMNASMN1; SMN2TK2CYP1A2
SCHEMBL21585062 0.87 LMNA (0.59) TK1LMNASMN1; SMN2TK2CYP1A2
SCHEMBL2030383 0.87 LMNA (0.59) TK1LMNASMN1; SMN2TK2CYP1A2

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-5594121-A DETECT VIRUSES, DISEASES GILEAD SCIENCES, INC. (US) 1997-01-14 — — US disclosed
EP-0695306-A1 ENHANCED TRIPLE-HELIX AND DOUBLE-HELIX FORMATION WITH OLIGOMERS CONTAINING MODIFIED PURINES GILEAD SCIENCES, INC. (US) 1996-02-07 — — EP disclosed
WO-1994024144-A2 ENHANCED TRIPLE-HELIX AND DOUBLE-HELIX FORMATION WITH OLIGOMERS CONTAINING MODIFIED PURINES GILEAD SCIENCES, INC. (US) 1994-10-27 — — WO disclosed
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