SCHEMBL7330804

SCHEMBL7330804

COC(=O)c1cc(C(=N)N)ccc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.59
CA1 P00915 3/20 0.59
CA2 P00918 3/20 0.59
CA7 P43166 3/20 0.59
CA9 Q16790 3/20 0.59
CA14 Q9ULX7 3/20 0.59
PLAU P00749 6/20 0.53
F2 P00734 4/20 0.53
F10 P00742 4/20 0.53
PLAT P00750 4/20 0.53
XDH P47989 1/20 0.51
PTGS2 P35354 1/20 0.49
LMNA P02545 3/20 0.49
TSHR P16473 2/20 0.49
HPGD P15428 3/20 0.48
HSD17B10 Q99714 3/20 0.48
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 2/20 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
SCHEMBL4424415 0.86 CA1 (0.62) CA12CA1CA2CA7CA9
SCHEMBL403210 0.84 CA12 (0.71) CA12CA1CA2CA7CA9
SCHEMBL2807745 0.82 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL20943963 0.82 PRSS1 (0.53) CA12CA1CA2CA7CA9
SCHEMBL27437528 0.82 KDM4E (0.46) PLAUF2F10PLATHPGD
SCHEMBL7332938 0.81 F10 (0.43) CA12CA1CA2CA7CA9
SCHEMBL1647438 0.81 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL31258831 0.81 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL330670 0.81 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL2803617 0.81 CA12 (0.56) CA12CA1CA2CA7CA9

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
US-4570006-A ANTITHROMBIN; ENZYME AND HORMONE INHIBITORS TORII & CO. LTD. (JP) 1986-02-11 US disclosed
US-4514416-A Amidine compound, process for producing same and anti-complement agent comprising same TORII & CO. LTD. (JP) 1985-04-30 US disclosed