SCHEMBL19286912

SCHEMBL19286912

N=C(N)c1ccc(Oc2ccc(O)cc2)cc1

nearest known ligand 0.83

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 8/20 0.83
F2 P00734 7/20 0.83
PLAU P00749 1/20 0.83
LMNA P02545 1/20 0.74
F10 P00742 3/20 0.66
FURIN P09958 1/20 0.66
PARP10 Q53GL7 1/20 0.64
PRSS1 P07477 8/20 0.63
PRSS2 P07478 5/20 0.63
PRSS3 P35030 5/20 0.63
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
ESR1 P03372 1/20 0.61
ESR2 Q92731 1/20 0.61
TMPRSS6 Q8IU80 1/20 0.55
F12 P00748 1/20 0.53

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
SCHEMBL17084494 0.91 ST14 (1.00) ST14F2PLAUF10FURIN
SCHEMBL483100 0.91 ST14 (1.00) ST14F2PLAUF10FURIN
SCHEMBL563315 0.86 LMNA (1.00) ST14F2PLAULMNAF10
Hydrochloric Acid SCHEMBL4279969 0.84 LMNA (0.94) ST14F2PLAULMNAF10
Water SCHEMBL10917300 0.84 LMNA (0.94) ST14F2PLAULMNAF10
SCHEMBL3085721 0.83 F2 (0.83) ST14F2PLAUF10FURIN
SCHEMBL20364177 0.81 ST14 (0.79) ST14F2PLAUF10FURIN
SCHEMBL13270794 0.81 ST14 (0.79) ST14F2PLAUF10FURIN
SCHEMBL6579180 0.79 F2 (1.00) ST14F2PLAUF10FURIN
SCHEMBL26416903 0.78 PARP10 (1.00) ST14F2PARP10PRSS1PRSS2

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-9745287-B2 Pyrimidines and use thereof PURDUE PHARMA L.P. (US) 2017-08-29 US disclosed