SCHEMBL8322003

SCHEMBL8322003

C=CCCc1nc2ccccc2[nH]1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.66
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
DDAH1 O94760 1/20 0.56
CHRM1 P11229 1/20 0.55
PDE10A Q9Y233 2/20 0.54
GAA P10253 1/20 0.53
BCHE P06276 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
HTT P42858 1/20 0.50

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
SCHEMBL230157 0.83 POLB (0.84) POLBNPC1RAB9ADDAH1CHRM1
SCHEMBL833457 0.83 POLB (0.66) POLBNPC1RAB9ADDAH1CHRM1
SCHEMBL9302629 0.83 POLB (0.66) POLBNPC1RAB9ADDAH1CHRM1
SCHEMBL463268 0.82 DDAH1 (0.59) POLBNPC1RAB9ADDAH1CHRM1
SCHEMBL9113349 0.82 POLB (0.60) POLBNPC1RAB9ADDAH1CHRM1
SCHEMBL28633738 0.81 DDAH1 (0.58) POLBNPC1RAB9ADDAH1PDE10A
Hydrogen Sulfide SCHEMBL29094907 0.81 DDAH1 (0.58) POLBNPC1RAB9ADDAH1CHRM1
Iodide SCHEMBL29040436 0.81 DDAH1 (0.58) POLBNPC1RAB9ADDAH1CHRM1
Phosphine SCHEMBL28188475 0.81 DDAH1 (0.58) POLBNPC1RAB9ADDAH1CHRM1
SCHEMBL293402 0.80 POLB (0.72) POLBNPC1RAB9ADDAH1CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10245684-A None JP disclosed
EP-0869787-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1999-03-24 EP disclosed
EP-0869787-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-10-14 EP disclosed
JP-H10245684-A SURFACE TREATING AGENT FOR COPPER AND COPPER ALLOY SHIKOKU CHEM CORP 1998-09-14 JP disclosed
WO-1997024119-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO disclosed
US-5173130-A Immersing copper or alloy to be soldered in an aqueous solution containing a 2-alkylbenzimidazole and an organic acid to form a corrosion and heat resistant protective coating SHIKOKU CHEMICALS CORPORATION (JP) 1992-12-22 US disclosed
EP-0428383-A1 Process for surface treatment of copper and copper alloy SHIKOKU CHEMICALS CORPORATION (JP) 1991-05-22 EP disclosed