SCHEMBL6783458

SCHEMBL6783458

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

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KLK8 O60259 1/20 0.42
KLK6 Q92876 1/20 0.42
KLK14 Q9P0G3 1/20 0.42
KLK5 Q9Y337 1/20 0.42
PLG P00747 4/20 0.41
PLAU P00749 4/20 0.41
CHEK2 O96017 1/20 0.38
F2 P00734 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
F10 P00742 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
Hydrochloric Acid SCHEMBL6783450 0.99 KLK8 (0.42) KLK8KLK6KLK14KLK5PLG
SCHEMBL6786597 0.95 KLK8 (0.41) KLK8KLK6KLK14KLK5PLG
Hydrochloric Acid SCHEMBL6786589 0.94 KLK8 (0.40) KLK8KLK6KLK14KLK5PLG
SCHEMBL6790534 0.92 PLAU (0.44) KLK8KLK6KLK14KLK5PLG
Hydrochloric Acid SCHEMBL6790527 0.91 PLAU (0.43) KLK8KLK6KLK14KLK5PLG
SCHEMBL6781492 0.90 KLK6 (0.45) KLK8KLK6KLK14KLK5PLG
SCHEMBL6782996 0.89 KLK8 (0.43) KLK8KLK6KLK14KLK5PLG
Hydrochloric Acid SCHEMBL6781488 0.89 KLK6 (0.45) KLK8KLK6KLK14KLK5PLG
SCHEMBL6787921 0.88 KDM4E (0.46) KLK8KLK6KLK14KLK5PLG
Hydrochloric Acid SCHEMBL6782992 0.88 KLK8 (0.42) KLK8KLK6KLK14KLK5PLG

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