SCHEMBL13636985

SCHEMBL13636985

COc1ccc(CNC(=O)C(C(=O)Nc2ccc(C(=N)N)cc2)c2ccccc2)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F7 P08709 8/20 0.57
F2 P00734 7/20 0.57
PRSS1 P07477 7/20 0.57
F10 P00742 6/20 0.57
MRGPRX1 Q96LB2 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
PRSS2 P07478 1/20 0.50
F3 P13726 1/20 0.50
PRSS3 P35030 1/20 0.50
NAMPT P43490 1/20 0.49
GAA P10253 1/20 0.48
KLK1 P06870 1/20 0.47
KLK5 Q9Y337 1/20 0.47
ROCK2 O75116 1/20 0.47
HDAC1 Q13547 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
SCHEMBL13637040 0.83 F9 (0.51) F7F2PRSS1F10HDAC1
SCHEMBL7149685 0.77 F2 (0.93) F7F2PRSS1F10MRGPRX1
SCHEMBL7149680 0.77 F2 (0.93) F7F2PRSS1F10MRGPRX1
SCHEMBL7149694 0.77 F2 (0.93) F7F2PRSS1F10MRGPRX1
SCHEMBL5564323 0.77 RXFP1 (0.47) F7F2PRSS1F10SMN1; SMN2
Hydrochloric Acid SCHEMBL8128699 0.77 F7 (0.88) F7F2PRSS1F10MRGPRX1
Hydrochloric Acid SCHEMBL8121789 0.77 F7 (0.88) F7F2PRSS1F10MRGPRX1
Hydrochloric Acid SCHEMBL7149307 0.77 F7 (0.88) F7F2PRSS1F10MRGPRX1
Acetic Acid SCHEMBL8124533 0.76 F2 (0.90) F7F2PRSS1F10MRGPRX1
Hydrochloric Acid SCHEMBL8120614 0.76 F2 (0.66) F7F2PRSS1F10MRGPRX1

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-1339673-B1 MALONAMIDE AND MALONAMIC ESTER DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY, THEIR PREPARATION AND THEIR USE SANOFI AVENTIS DEUTSCHLAND (DE) 2009-11-11 EP disclosed