SCHEMBL6790534

SCHEMBL6790534

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 6/20 0.44
PLG P00747 5/20 0.44
KLK8 O60259 1/20 0.40
KLK6 Q92876 1/20 0.40
KLK14 Q9P0G3 1/20 0.40
KLK5 Q9Y337 1/20 0.40
F2 P00734 3/20 0.38
PRMT1 Q99873 3/20 0.38
ST14 Q9Y5Y6 3/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
POLB P06746 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PRMT5 O14744 1/20 0.38
SLC22A2 O15244 1/20 0.38
SLC22A1 O15245 1/20 0.38
TMPRSS2 O15393 1/20 0.38
PTP4A3 O75365 1/20 0.38
SLC22A3 O75751 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
Hydrochloric Acid SCHEMBL6790527 0.99 PLAU (0.43) PLAUPLGKLK8KLK6KLK14
SCHEMBL6783458 0.92 KLK8 (0.42) PLAUPLGKLK8KLK6KLK14
Hydrochloric Acid SCHEMBL6783450 0.91 KLK8 (0.42) PLAUPLGKLK8KLK6KLK14
SCHEMBL6787921 0.89 KDM4E (0.46) PLAUPLGKLK8KLK6KLK14
SCHEMBL6786597 0.89 KLK8 (0.41) PLAUPLGKLK8KLK6KLK14
Hydrochloric Acid SCHEMBL6786589 0.88 KLK8 (0.40) PLAUPLGKLK8KLK6KLK14
Hydrochloric Acid SCHEMBL6787915 0.88 KDM4E (0.45) PLAUPLGKLK8KLK6KLK14
SCHEMBL6781492 0.86 KLK6 (0.45) PLAUPLGKLK8KLK6KLK14
Hydrochloric Acid SCHEMBL6781488 0.85 KLK6 (0.45) PLAUPLGKLK8KLK6KLK14
SCHEMBL6782996 0.85 KLK8 (0.43) PLAUPLGKLK8KLK6KLK14

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