SCHEMBL6792397

SCHEMBL6792397

N=C(N)c1ccc(-c2[nH]c3cc(C(=N)N)ccc3c2CC(=O)OCc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KLK6 Q92876 2/20 0.46
KLK8 O60259 1/20 0.46
KLK14 Q9P0G3 1/20 0.46
KLK5 Q9Y337 1/20 0.46
PLAU P00749 5/20 0.44
F2 P00734 9/20 0.44
F10 P00742 8/20 0.44
PRSS1 P07477 4/20 0.42
PLG P00747 3/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ENPP2 Q13822 1/20 0.41
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
IMPDH2 P12268 1/20 0.39
NQO2 P16083 1/20 0.39
SCN9A Q15858 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
Hydrochloric Acid SCHEMBL6792389 0.99 KLK6 (0.46) KLK6KLK8KLK14KLK5PLAU
SCHEMBL6793200 0.92 F2 (0.44) KLK6KLK8KLK14KLK5PLAU
Hydrochloric Acid SCHEMBL6793195 0.91 F2 (0.43) KLK6KLK8KLK14KLK5PLAU
SCHEMBL6783458 0.84 KLK8 (0.42) KLK6KLK8KLK14KLK5PLAU
SCHEMBL6781492 0.83 KLK6 (0.45) KLK6KLK8KLK14KLK5PLAU
Hydrochloric Acid SCHEMBL6783450 0.83 KLK8 (0.42) KLK6KLK8KLK14KLK5PLAU
Hydrochloric Acid SCHEMBL6781488 0.82 KLK6 (0.45) KLK6KLK8KLK14KLK5PLAU
SCHEMBL6782996 0.82 KLK8 (0.43) KLK6KLK8KLK14KLK5PLAU
SCHEMBL6784836 0.82 KLK8 (0.41) KLK6KLK8KLK14KLK5PLAU
Hydrochloric Acid SCHEMBL6782992 0.81 KLK8 (0.42) KLK6KLK8KLK14KLK5PLAU

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-6699862-B1 ANTITUMOR PFIZER INC. 2004-03-02 US claimed