SCHEMBL16358447

SCHEMBL16358447

[N-]=[N+]=Nc1cccc(NC(=O)C(Sc2cccc[n+]2O)c2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PCTP Q9UKL6 10/20 0.51
STARD10 Q9Y365 3/20 0.48
STARD7 Q9NQZ5 1/20 0.48
LMNA P02545 5/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
POLB P06746 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 3/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL17066590 0.78 PCTP (0.79) PCTPSTARD10STARD7LMNASMN1; SMN2
SCHEMBL17066575 0.76 PCTP (0.77) PCTPSTARD10STARD7LMNASMN1; SMN2
SCHEMBL17066524 0.75 PCTP (0.79) PCTPSTARD10STARD7LMNASMN1; SMN2
SCHEMBL17066525 0.74 PCTP (0.78) PCTPSTARD10STARD7LMNASMN1; SMN2
SCHEMBL17066522 0.73 PCTP (0.80) PCTPSTARD10STARD7LMNAPOLB
SCHEMBL12903628 0.71 PCTP (0.77) PCTPSTARD10STARD7LMNASMN1; SMN2
SCHEMBL18430479 0.70 PCTP (0.44) PCTPSTARD10STARD7LMNASMN1; SMN2
SCHEMBL22554108 0.70 GPR35 (0.42) LMNAPOLBMAPTMEN1KMT2A
SCHEMBL17284883 0.69 PCTP (0.66) PCTPSTARD10STARD7LMNASMN1; SMN2
SCHEMBL17066528 0.68 PCTP (0.78) PCTPSTARD10STARD7LMNASMN1; SMN2

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
WO-2011022393-A2 PHOSPHATIDYLCHOLINE TRANSFER PROTEIN INHIBITORS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2011-02-24 WO disclosed