SCHEMBL11670320

SCHEMBL11670320

CSc1nnnn1CCC(O)O

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.69
LMNA P02545 2/20 0.69
HSD17B10 Q99714 2/20 0.41
HTT P42858 1/20 0.38
ALDH1A1 P00352 5/20 0.38
CYP2C19 P33261 2/20 0.37
CYP1A2 P05177 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
CYP2C9 P11712 1/20 0.35
USP2 O75604 2/20 0.34
MEN1 O00255 2/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL4597345 0.81 KMT2A (0.80) KMT2ALMNAHSD17B10HTTALDH1A1
SCHEMBL11689714 0.77 KMT2A (0.80) KMT2ALMNAHSD17B10HTTALDH1A1
SCHEMBL10985420 0.76 KMT2A (0.77) KMT2ALMNAHSD17B10HTTALDH1A1
SCHEMBL9331809 0.74 KMT2A (0.67) KMT2ALMNAHSD17B10HTTALDH1A1
SCHEMBL3742869 0.73 LMNA (0.71) KMT2ALMNAALDH1A1
SCHEMBL11069089 0.72
SCHEMBL9334609 0.72 KMT2A (0.65) KMT2ALMNAHSD17B10HTTALDH1A1
SCHEMBL11692007 0.72 LMNA (0.64) KMT2ALMNAHSD17B10HTTALDH1A1
SCHEMBL11335820 0.72 KMT2A (0.70) KMT2ALMNAHSD17B10HTTALDH1A1
SCHEMBL9487028 0.69 KMT2A (0.59) KMT2ALMNAHSD17B10HTTALDH1A1

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-4064242-A ANTIBACTERIAL AGENTS SMITHKLINE CORPORATION (US) 1977-12-20 US disclosed