SCHEMBL6014063

SCHEMBL6014063

C#CC1(C)CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)NC1=O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TK1 P04183 3/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TK2 O00142 1/20 0.40
ALOX12 P18054 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRB1 P08588 1/20 0.38
DNMT1 P26358 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL5888914 0.87 TK1 (0.40) TK1LMNASMN1; SMN2TK2ALOX12
SCHEMBL15893327 0.86 TK1 (0.44) TK1LMNASMN1; SMN2TK2ALOX12
SCHEMBL1583331 0.86 TK1 (0.44) TK1LMNASMN1; SMN2TK2ALOX12
SCHEMBL16099482 0.86 TK1 (0.44) TK1LMNASMN1; SMN2TK2ALOX12
SCHEMBL31456572 0.85 TK1 (0.42) TK1LMNASMN1; SMN2TK2ALOX12
SCHEMBL20493436 0.84 TK1 (0.38) TK1LMNASMN1; SMN2TK2ALOX12
SCHEMBL18039264 0.82 TK1 (0.43) TK1LMNASMN1; SMN2TK2ALOX12
SCHEMBL6025793 0.82 TK1 (0.43) TK1LMNASMN1; SMN2TK2ALOX12
SCHEMBL6025787 0.82 TK1 (0.43) TK1LMNASMN1; SMN2TK2ALOX12
SCHEMBL4745548 0.81 TK1 (0.43) TK1LMNASMN1; SMN2TK2ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025076554-A1 TARGETED CELL PROFILING VIA IN SITU HYBRIDIZATION WITH MASS SPECTROMETRY DETECTION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-04-10 WO disclosed
WO-2006113204-A2 THYMIDINE DERIVATIVES FOR TREATMEMT OF KAPOSI'S SARCOMA THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2006-10-26 WO disclosed