SCHEMBL9839633

SCHEMBL9839633

Cc1cn(C2CCCO2)c(=S)[nH]c1=O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
KMT2A Q03164 3/20 0.51
MAPT P10636 2/20 0.51
LMNA P02545 1/20 0.51
ESR1 P03372 1/20 0.51
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MPO P05164 1/20 0.40
TPO P07202 1/20 0.40
GAA P10253 2/20 0.40
HSD17B10 Q99714 2/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TK1 P04183 3/20 0.37
DHFR P00374 1/20 0.35

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
SCHEMBL8784500 0.85 LMNA (0.69) ALDH1A1KMT2AMAPTLMNAESR1
SCHEMBL19203480 0.85 LMNA (0.69) ALDH1A1KMT2AMAPTLMNAESR1
SCHEMBL9839754 0.85 LMNA (0.69) ALDH1A1KMT2AMAPTLMNAESR1
SCHEMBL4621374 0.74 LMNA (0.46) ALDH1A1LMNAPOLBTK1
SCHEMBL21277437 0.72 TK1 (0.43) ALDH1A1LMNAPOLBTK1
SCHEMBL21277447 0.72 TK1 (0.43) ALDH1A1LMNAPOLBTK1
SCHEMBL21345987 0.71 TK1 (0.38) ALDH1A1LMNAPOLBTK1DHFR
SCHEMBL9839604 0.71 ALDH1A1 (0.43) ALDH1A1KMT2AMAPTLMNAESR1
SCHEMBL114560 0.69 TK1 (0.60) LMNASMN1; SMN2TK1
SCHEMBL11875571 0.69 TK1 (0.60) LMNASMN1; SMN2TK1

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