SCHEMBL9426187

SCHEMBL9426187

Cc1cc(C(=N)N)nc(-c2cc(C)cc(C(=N)N)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 2/20 0.46
▸ PRSS2 P07478 2/20 0.46
▸ PRSS3 P35030 2/20 0.46
▸ C1S P09871 1/20 0.46
▸ NOS1 P29475 3/20 0.35
▸ PLAU P00749 1/20 0.33
▸ NOS3 P29474 2/20 0.32
▸ NOS2 P35228 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31

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
Hydrochloric Acid SCHEMBL9426233 0.98 PRSS1 (0.45) PRSS1PRSS2PRSS3C1SNOS1
SCHEMBL24121412 0.89 PRSS1 (0.52) PRSS1PRSS2PRSS3C1SNOS1
Hydrochloric Acid SCHEMBL5729538 0.81 NOS3 (0.45) PRSS1PRSS2PRSS3C1SNOS1
SCHEMBL9426333 0.78 LMNA (0.48) KDM4EALDH1A1LMNAGAA
SCHEMBL9425286 0.78 BAZ2B (0.33) PRSS1PRSS2PRSS3C1SNOS1
SCHEMBL9425718 0.75 NOS3 (0.32) PRSS1PRSS2PRSS3C1SNOS3
SCHEMBL9425438 0.75 CCR1 (0.31) PRSS1PRSS2PRSS3C1SNOS1
SCHEMBL9425796 0.74 LMNA (0.35) LMNA
SCHEMBL9425946 0.74 PRSS1 (0.42) PRSS1PRSS2PRSS3C1SPLAU
SCHEMBL8153950 0.68 PLAU (0.48) PRSS1PRSS2PRSS3C1SNOS1

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
JP-4312576-A — — None — — JP disclosed
JP-H04312576-A BIPYRDYL CIBA GEIGY AG 1992-11-04 — — JP disclosed
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