SCHEMBL8926757

SCHEMBL8926757

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

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TK1 P04183 3/20 0.52
▸ LMNA P02545 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ TK2 O00142 1/20 0.52
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ BLM P54132 1/20 0.51
▸ PMP22 Q01453 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ ALOX12 P18054 1/20 0.50
▸ ADRA1A P35348 1/20 0.50

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
SCHEMBL8926762 1.00 TK1 (0.52) TK1LMNASMN1; SMN2TK2CYP1A2
SCHEMBL13222053 0.90 LMNA (0.58) TK1LMNASMN1; SMN2TK2CYP1A2
SCHEMBL25470065 0.90 TK1 (0.57) TK1LMNASMN1; SMN2TK2CYP1A2
SCHEMBL8925580 0.89 TK1 (0.59) TK1LMNASMN1; SMN2TK2CYP1A2
SCHEMBL8925599 0.89 TK1 (0.59) TK1LMNASMN1; SMN2TK2CYP1A2
SCHEMBL15115328 0.89 TK1 (0.52) TK1LMNASMN1; SMN2TK2ALOX12
SCHEMBL29757418 0.87 TK1 (0.58) TK1LMNASMN1; SMN2TK2CYP1A2
SCHEMBL2611574 0.84 LMNA (0.59) TK1LMNASMN1; SMN2TK2CYP1A2
SCHEMBL21585062 0.84 LMNA (0.59) TK1LMNASMN1; SMN2TK2CYP1A2
SCHEMBL2030383 0.84 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 1 patent. 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
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