SCHEMBL4301967

SCHEMBL4301967

O=C(NC(=O)c1ccccc1)OC1CCC(S)C1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.49
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
ATM Q13315 1/20 0.41
KMT2A Q03164 2/20 0.40
EPHX1 P07099 1/20 0.40
CHRNA7 P36544 2/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.38
FAAH O00519 1/20 0.38
GAA P10253 1/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38

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
SCHEMBL4301965 1.00 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9AATMKMT2A
SCHEMBL4301962 1.00 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9AATMKMT2A
SCHEMBL27615293 0.78 SMN1; SMN2 (0.75) SMN1; SMN2NPC1RAB9AATMEPHX1
SCHEMBL4309071 0.73 MMP2 (0.48) SMN1; SMN2NPC1RAB9AATMKMT2A
SCHEMBL4309069 0.73 MMP2 (0.48) SMN1; SMN2NPC1RAB9AATMKMT2A
SCHEMBL4309076 0.73 MMP2 (0.48) SMN1; SMN2NPC1RAB9AATMKMT2A
SCHEMBL2272372 0.68 EPHX2 (0.55) SMN1; SMN2NPC1RAB9AKMT2ACHRNA7
SCHEMBL17600488 0.67 BCHE (0.66)
SCHEMBL16293726 0.67 BCHE (0.66)
SCHEMBL76489 0.67 ALDH1A1 (0.67) SMN1; SMN2NPC1RAB9AKMT2AEPHX1

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-20090075840-A1 Methods And Compositions For Generating Mixtures Of Nucleic Acid Molecules AGILENT TECHNOLOGIES, INC. 2009-03-19 US disclosed