SCHEMBL7409406

SCHEMBL7409406

N=C(NO)c1ccc2[nH]c(Cc3nc4ccccc4s3)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.44
F10 P00742 3/20 0.44
F7 P08709 2/20 0.44
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 2/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HDAC6 Q9UBN7 5/20 0.38
KLK1 P06870 1/20 0.38
KLK5 Q9Y337 1/20 0.38
TPSAB1 Q15661 3/20 0.38
PRSS1 P07477 2/20 0.38
PLG P00747 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
SCHEMBL7409101 0.87 F10 (0.60) F2F10F7KLK1KLK5
SCHEMBL7409412 0.80 MAPT (0.48) F2F10F7LMNAMAPT
SCHEMBL11330804 0.78 LMNA (0.59) LMNAMAPTHTTMEN1ALDH1A1
SCHEMBL7489169 0.77 F10 (0.53) F2F10F7MAPTMEN1
SCHEMBL7401334 0.76 NPSR1 (0.48) F2F10F7ALDH1A1KDM4E
SCHEMBL7405317 0.70 F10 (0.59) F2F10F7MAPTALDH1A1
SCHEMBL7409276 0.70 F10 (0.63) F2F10F7TPSAB1PRSS1
SCHEMBL22164295 0.70 PKM (0.48) LMNAMAPTHTTMEN1ALDH1A1
SCHEMBL6336736 0.70 MAPT (0.43) LMNAMAPTMEN1ALDH1A1KMT2A
SCHEMBL9028427 0.69 F10 (0.48) F2F10F7LMNAMAPT

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-1999026932-A1 BY AMIDINO GROUP SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTICOAGULANTS AXYS PHARMACEUTICALS, INC. (US) 1999-06-03 WO disclosed