SCHEMBL17066491

SCHEMBL17066491

O=C(Nc1cc(CF)ccc1Cl)C(Sc1cccc[n+]1O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.58
ALDH1A1 P00352 2/20 0.58
PCTP Q9UKL6 10/20 0.56
STARD10 Q9Y365 3/20 0.56
STARD7 Q9NQZ5 1/20 0.50
LMNA P02545 5/20 0.48
POLB P06746 2/20 0.48
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
MAPT P10636 3/20 0.47
NPSR1 Q6W5P4 5/20 0.46
ATM Q13315 1/20 0.46
RECQL P46063 1/20 0.42
GAA P10253 1/20 0.39

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
SCHEMBL16358245 0.84 ALDH1A1 (0.80) SMN1; SMN2ALDH1A1PCTPSTARD10STARD7
SCHEMBL12903628 0.84 PCTP (0.77) SMN1; SMN2ALDH1A1PCTPSTARD10STARD7
SCHEMBL17066575 0.79 PCTP (0.77) SMN1; SMN2ALDH1A1PCTPSTARD10STARD7
SCHEMBL17284883 0.78 PCTP (0.66) SMN1; SMN2ALDH1A1PCTPSTARD10STARD7
SCHEMBL12903623 0.76 PCTP (0.80) SMN1; SMN2ALDH1A1PCTPSTARD10STARD7
SCHEMBL17066524 0.75 PCTP (0.79) SMN1; SMN2ALDH1A1PCTPSTARD10STARD7
SCHEMBL17066525 0.74 PCTP (0.78) SMN1; SMN2ALDH1A1PCTPSTARD10STARD7
SCHEMBL1234607 0.73 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1PCTPSTARD10STARD7
SCHEMBL17066522 0.73 PCTP (0.80) ALDH1A1PCTPSTARD10STARD7LMNA
SCHEMBL17066528 0.72 PCTP (0.78) SMN1; SMN2ALDH1A1PCTPSTARD10STARD7

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-9126938-B2 Phosphatidylcholine transfer protein inhibitors THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2015-09-08 US disclosed