SCHEMBL9425946

SCHEMBL9425946

COc1cc(C(=N)N)nc(-c2cc(OC)cc(C(=N)N)n2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 2/20 0.42
▸ PRSS2 P07478 2/20 0.42
▸ PRSS3 P35030 2/20 0.42
▸ PLAU P00749 3/20 0.38
▸ PLG P00747 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ PTGIR P43119 1/20 0.36
▸ CCR1 P32246 1/20 0.35
▸ CCR5 P51681 1/20 0.35
▸ CCR8 P51685 1/20 0.35
▸ F10 P00742 2/20 0.35
▸ GRIN2D O15399 1/20 0.34
▸ GRIN3B O60391 1/20 0.34
▸ GRIN1 Q05586 1/20 0.34
▸ GRIN2A Q12879 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ GRIN2C Q14957 1/20 0.34
▸ GRIN3A Q8TCU5 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ F2 P00734 1/20 0.34

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
SCHEMBL9426187 0.74 PRSS1 (0.46) PRSS1PRSS2PRSS3PLAUALDH1A1
Hydrochloric Acid SCHEMBL9426233 0.72 PRSS1 (0.45) PRSS1PRSS2PRSS3PLAUALDH1A1
SCHEMBL14266624 0.72 NOS3 (0.53) PRSS1PRSS2PRSS3PLAUPTGIR
SCHEMBL29435763 0.72 NOS3 (0.53) PRSS1PRSS2PRSS3PLAUPTGIR
Hydrochloric Acid SCHEMBL31037743 0.70 NOS3 (0.52) PRSS1PRSS2PRSS3PLAUALDH1A1
Hydrochloric Acid SCHEMBL17893837 0.70 NOS3 (0.52) PRSS1PRSS2PRSS3PLAUALDH1A1
SCHEMBL5223539 0.69 LMNA (0.48) PLAUALDH1A1
SCHEMBL9425796 0.69 LMNA (0.35) CCR1CCR5CCR8F10F2
Caerulomycinamide SCHEMBL8513634 0.69 HSP90AA1 (0.55) ALDH1A1HSP90AA1F2CYP3A4
SCHEMBL3368246 0.69 PRSS1 (0.64) PRSS1PRSS2PRSS3PLAUPLG

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5354761-A Antiprotozoa agents CIBA-GEIGY CORP. (US) 1994-10-11 — — US claimed
EP-0495749-A1 Bipyridines CIBA-GEIGY AG (CH) 1992-07-22 — — EP claimed
US-5354761-A Antiprotozoa agents CIBA-GEIGY CORP. (US) 1994-10-11 — — US disclosed
EP-0495749-A1 Bipyridines CIBA-GEIGY AG (CH) 1992-07-22 — — EP disclosed
Send feedback