SCHEMBL7454071

SCHEMBL7454071

N=C(N)c1ccc2cc(OC[C]=O)ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 6/20 0.52
▸ PRSS1 P07477 6/20 0.50
▸ PLAU P00749 6/20 0.50
▸ PLG P00747 3/20 0.50
▸ KLK1 P06870 3/20 0.50
▸ KLKB1 P03952 1/20 0.50
▸ F12 P00748 2/20 0.49
▸ TMPRSS2 O15393 2/20 0.47
▸ MLNR O43193 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ C1R P00736 1/20 0.47
▸ F10 P00742 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ ITGB3 P05106 1/20 0.47
▸ HPN P05981 1/20 0.47
▸ CHRM2 P08172 1/20 0.47
▸ ITGA2B P08514 1/20 0.47
▸ C1S P09871 1/20 0.47
▸ ADORA3 P0DMS8 1/20 0.47
▸ MAPT P10636 1/20 0.47

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
SCHEMBL8438444 0.85 PRSS1 (0.63) F2PRSS1PLAUPLGTMPRSS2
SCHEMBL7336793 0.78 PTPN7 (0.61) F2PRSS1PLAUPLGKLK1
SCHEMBL19430950 0.76 PRSS1 (0.59) F2PRSS1PLAUPLGTMPRSS2
SCHEMBL19430435 0.75 F2 (0.52) F2PRSS1PLAUPLGKLK1
SCHEMBL7344446 0.75 PLAU (0.54) F2PRSS1PLAUPLGKLK1
SCHEMBL2121782 0.74 AGXT (0.57) ALDH1A1LMNAMAPT
SCHEMBL19479048 0.74 PRSS1 (0.60) F2PRSS1PLAUPLGTMPRSS2
SCHEMBL19430636 0.74 F2 (0.74) F2PRSS1PLAUF10ST14
SCHEMBL7346756 0.74 PRSS1 (0.55) F2PRSS1PLAUPLGTMPRSS2
SCHEMBL8310667 0.74 PLAU (0.58) F2PRSS1PLAUPLGKLK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0975608-A2 HALO-ALKOXYCARBONYL PRODRUGS Genentech, Inc. (US) 2000-02-02 — — EP disclosed
WO-1998046576-A2 HALO-ALKOXYCARBONYL PRODRUGS GENENTECH, INC. (US) 1998-10-22 — — WO disclosed
Send feedback