SCHEMBL23201134

SCHEMBL23201134

C[CH]C(=O)NCc1ccc(C(=N)N)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 2/20 0.55
F2 P00734 8/20 0.51
TPSAB1 Q15661 1/20 0.49
KLKB1 P03952 6/20 0.48
F7 P08709 1/20 0.48
PRSS1 P07477 2/20 0.47
PRSS2 P07478 2/20 0.47
PRSS3 P35030 2/20 0.47
PLG P00747 1/20 0.47
C1S P09871 1/20 0.47
F10 P00742 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.47
MASP2 O00187 1/20 0.45

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
SCHEMBL5901036 0.83 KMT2A (0.66) ST14F2TPSAB1KLKB1F7
Acetic Acid SCHEMBL23201172 0.80 ST14 (0.55) ST14F2TPSAB1KLKB1PRSS1
SCHEMBL8269694 0.78 HDAC1 (0.56) ST14F2TPSAB1KLKB1F7
SCHEMBL8290747 0.76 F7 (0.60) ST14F2TPSAB1KLKB1F7
SCHEMBL23201173 0.76 ST14 (0.51) ST14F2TPSAB1KLKB1F7
SCHEMBL12348110 0.75 F7 (0.67) ST14F2F7PRSS1PRSS2
SCHEMBL12348109 0.75 EPHX2 (0.63) ST14F2TPSAB1F7F10
SCHEMBL8494151 0.75 HPN (0.57) ST14F2TPSAB1KLKB1
SCHEMBL23486915 0.75 ST14 (0.56) ST14F2F7MASP2
SCHEMBL48986 0.74 PRSS1 (0.57) ST14F2PRSS1PRSS2PRSS3

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
EP-3802489-A2 MASP-2 INHIBITORS AND METHODS OF USE Omeros Corporation (US) 2021-04-14 EP disclosed