SCHEMBL8964795

SCHEMBL8964795

COc1ccc(Sc2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
PDE7A Q13946 3/20 0.51
KMT2A Q03164 3/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
TDP1 Q9NUW8 2/20 0.49
ALDH1A1 P00352 1/20 0.49
MEN1 O00255 2/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 2/20 0.47
MMP2 P08253 3/20 0.47
MMP9 P14780 3/20 0.47
MMP12 P39900 3/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
PDE7B Q9NP56 1/20 0.47
HPGD P15428 1/20 0.45
MMP14 P50281 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL14486355 0.83 TDP1 (0.51) SMN1; SMN2PDE7AKMT2ATDP1ALDH1A1
SCHEMBL8881808 0.82 MAPT (0.58) SMN1; SMN2PDE7AKMT2ATDP1ALDH1A1
SCHEMBL9186731 0.82 PDE7A (0.56) SMN1; SMN2PDE7AKMT2ATDP1ALDH1A1
SCHEMBL2960260 0.82 PDE7A (0.62) SMN1; SMN2PDE7AKMT2ANPC1RAB9A
SCHEMBL1713219 0.81 PDE7A (0.65) SMN1; SMN2PDE7AKMT2ATDP1ALDH1A1
SCHEMBL30338244 0.81 PDE7A (0.65) SMN1; SMN2PDE7AKMT2ATDP1ALDH1A1
SCHEMBL12953529 0.81 PDE7A (0.48) SMN1; SMN2PDE7AKMT2ATDP1ALDH1A1
SCHEMBL810656 0.81 TDP1 (0.58) PDE7AKMT2ATDP1ALDH1A1MEN1
SCHEMBL811285 0.80 PDE7A (0.60) PDE7AKMT2ATDP1ALDH1A1MEN1
SCHEMBL30548759 0.79 MEN1 (0.62) KMT2AALDH1A1MEN1POLBMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5587112-A DETECTION AND MEASUREMENT OF HIGH ENERGY PARTICLES AND ELECTROMAGNETC RADIATION PHILADELPHIA COLLEGE OF PHARMACY AND SCIENCE (US) 1996-12-24 US disclosed
US-4124370-A Diphenyl ethers for tobacco sucker control ROHM AND HAAS COMPANY (US) 1978-11-07 US disclosed