SCHEMBL6793200

SCHEMBL6793200

N=C(N)c1ccc(-c2[nH]c3cc(C(=N)N)ccc3c2CC(=O)OCCOCc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 12/20 0.44
F10 P00742 11/20 0.44
KLK6 Q92876 2/20 0.44
KLK8 O60259 1/20 0.44
KLK14 Q9P0G3 1/20 0.44
KLK5 Q9Y337 1/20 0.44
PLAU P00749 8/20 0.40
PRSS1 P07477 7/20 0.40
PLG P00747 6/20 0.40
PPARG P37231 1/20 0.38
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37

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 SCHEMBL6793195 0.99 F2 (0.43) F2F10KLK6KLK8KLK14
SCHEMBL6792397 0.92 KLK6 (0.46) F2F10KLK6KLK8KLK14
Hydrochloric Acid SCHEMBL6792389 0.91 KLK6 (0.46) F2F10KLK6KLK8KLK14
SCHEMBL6786597 0.86 KLK8 (0.41) F2F10KLK6KLK8KLK14
SCHEMBL6788443 0.85 KLK8 (0.42) F2F10KLK6KLK8KLK14
Hydrochloric Acid SCHEMBL6786589 0.85 KLK8 (0.40) F2F10KLK6KLK8KLK14
SCHEMBL6782996 0.85 KLK8 (0.43) F2F10KLK6KLK8KLK14
SCHEMBL6783458 0.85 KLK8 (0.42) F2F10KLK6KLK8KLK14
Hydrochloric Acid SCHEMBL6788432 0.84 KLK8 (0.41) F2F10KLK6KLK8KLK14
Hydrochloric Acid SCHEMBL6782992 0.84 KLK8 (0.42) F2F10KLK6KLK8KLK14

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