SCHEMBL9841253

SCHEMBL9841253

O=c1[nH]c(=O)n(C2CCCO2)cc1Br

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 1.00
ALDH1A1 P00352 3/20 1.00
POLB P06746 2/20 1.00
SMN1; SMN2 Q16637 1/20 1.00
LMNA P02545 2/20 0.69
ESR1 P03372 1/20 0.69
MAPT P10636 1/20 0.69
PYGM P11217 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
TK1 P04183 1/20 0.40
MEN1 O00255 2/20 0.38
HPGD P15428 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
GAA P10253 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL19203480 0.82 LMNA (0.69) KMT2AALDH1A1POLBSMN1; SMN2LMNA
Tegafur SCHEMBL8537231 0.82 LMNA (1.00) KMT2AALDH1A1POLBSMN1; SMN2LMNA
SCHEMBL8784500 0.82 LMNA (0.69) KMT2AALDH1A1POLBSMN1; SMN2LMNA
SCHEMBL9839754 0.82 LMNA (0.69) KMT2AALDH1A1POLBSMN1; SMN2LMNA
Tegafur SCHEMBL4552 0.82 LMNA (1.00) KMT2AALDH1A1POLBSMN1; SMN2LMNA
SCHEMBL9838290 0.82 ALDH1A1 (0.69) KMT2AALDH1A1POLBSMN1; SMN2LMNA
Tegafur SCHEMBL7698456 0.82 LMNA (1.00) KMT2AALDH1A1POLBSMN1; SMN2LMNA
Tegafur SCHEMBL4553 0.82 LMNA (1.00) KMT2AALDH1A1POLBSMN1; SMN2LMNA
Tegafur SCHEMBL22320166 0.81 LMNA (0.97) KMT2AALDH1A1POLBSMN1; SMN2LMNA
Tegafur SCHEMBL4155129 0.81 LMNA (0.97) KMT2AALDH1A1POLBSMN1; SMN2LMNA

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-5075446-A Synthesis of tetrahydro-2-furylated pyrimidine derivatives KOREA ADVANCED INSTITUTE OF SCIENCE & TECHNOLOGY (KR) 1991-12-24 US disclosed