SCHEMBL7979599

SCHEMBL7979599

Cn1c(=O)c(Cc2ccc(C(=N)NO)cc2)nc2cc(C3(C(=O)O)CC3)ccc21

nearest known ligand 0.80

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 12/20 0.80
F10 P00742 11/20 0.64
PLG P00747 7/20 0.64
PRSS1 P07477 3/20 0.64
PRSS2 P07478 3/20 0.64
PRSS3 P35030 3/20 0.64
HDAC6 Q9UBN7 8/20 0.36
HDAC1 Q13547 2/20 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
SCHEMBL7979435 0.89 F2 (1.00) F2F10PLGPRSS1PRSS2
Hydrochloric Acid SCHEMBL7984501 0.88 F2 (0.98) F2F10PLGPRSS1PRSS2
SCHEMBL7426925 0.82 F2 (0.72) F2F10PLGPRSS1PRSS2
Hydrochloric Acid SCHEMBL7981512 0.80 F2 (0.79) F2F10PLGPRSS1PRSS2
SCHEMBL7968288 0.78 F2 (1.00) F2F10PLGPRSS1PRSS2
Hydrochloric Acid SCHEMBL7424078 0.78 F2 (0.75) F2F10PLGPRSS1PRSS2
Hydrochloric Acid SCHEMBL7981375 0.77 F2 (0.98) F2F10PLGPRSS1PRSS2
Hydrochloric Acid SCHEMBL7982145 0.77 F2 (0.98) F2F10PLGPRSS1PRSS2
Hydrochloric Acid SCHEMBL7480202 0.77 F2 (0.87) F2F10PLGPRSS1PRSS2
Hydrochloric Acid SCHEMBL7979947 0.75 F2 (0.74) F2F10PLGPRSS1PRSS2

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-6200976-B1 FOR TREATING THROMBOSIS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-03-13 US disclosed