SCHEMBL14142782

SCHEMBL14142782

C=C(N)c1cccc(N)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 2/20 0.59
▸ PRSS1 P07477 2/20 0.59
▸ PRSS2 P07478 2/20 0.59
▸ PRSS3 P35030 2/20 0.59
▸ PLG P00747 1/20 0.59
▸ PBRM1 Q86U86 1/20 0.52
▸ CYP3A4 P08684 1/20 0.50
▸ CASP1 P29466 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ NPC1 O15118 1/20 0.48
▸ MITF O75030 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ ALDH1A1 P00352 5/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ CA1 P00915 2/20 0.46
▸ CA2 P00918 2/20 0.46
▸ CA9 Q16790 2/20 0.46
▸ CA12 O43570 1/20 0.46
▸ CA7 P43166 1/20 0.46

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
SCHEMBL19070659 0.83 F2 (0.56) F2PRSS1PRSS2PRSS3PLG
SCHEMBL12326742 0.81 PBRM1 (0.57) F2PRSS1PRSS2PRSS3PLG
SCHEMBL771139 0.79 F2 (0.52) F2PRSS1PRSS2PRSS3PLG
SCHEMBL28216252 0.79 PBRM1 (0.55) F2PRSS1PRSS2PRSS3PLG
SCHEMBL16396188 0.77 PBRM1 (0.59) F2PRSS1PRSS2PRSS3PLG
SCHEMBL3147361 0.77 F2 (0.50) F2PRSS1PRSS2PRSS3PLG
SCHEMBL31650871 0.76 F2 (0.59) F2PRSS1PRSS2PRSS3PLG
3-Aminobenzamide SCHEMBL16070 0.76 PBRM1 (0.63) F2PRSS1PRSS2PRSS3PLG
SCHEMBL14515478 0.76 PARP1 (0.61) CYP3A4LMNAALDH1A1TDP1CA1
SCHEMBL231914 0.76 PRSS1 (0.95) F2PRSS1PRSS2PRSS3PLG

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-9216966-B2 Compounds for Alzheimer's disease Manfredi, John (US) 2015-12-22 — — US disclosed
EP-1944305-A1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2008-07-16 — — EP disclosed
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