SCHEMBL6753958

SCHEMBL6753958

CCCCCCc1nc2c(C)c(C)c(C)c(C)c2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.44
PI4K2B Q8TCG2 1/20 0.44
PI4K2A Q9BTU6 1/20 0.44
PI4KB Q9UBF8 1/20 0.44
GPR84 Q9NQS5 5/20 0.43
ALDH1A1 P00352 2/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36

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
SCHEMBL6756158 0.85 POLB (0.44) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL6753960 0.73 GPR84 (0.45) PI4KAPI4K2BPI4K2API4KBGPR84
SCHEMBL6753964 0.73 GPR84 (0.45) PI4KAPI4K2BPI4K2API4KBGPR84
SCHEMBL6753880 0.71 PI4KA (0.43) PI4KAPI4K2BPI4K2API4KBGPR84
SCHEMBL6755290 0.71 PI4KA (0.43) PI4KAPI4K2BPI4K2API4KBGPR84
SCHEMBL6756289 0.71 PI4KA (0.43) PI4KAPI4K2BPI4K2API4KBGPR84
SCHEMBL6755316 0.71 PI4KA (0.43) PI4KAPI4K2BPI4K2API4KBGPR84
SCHEMBL6759157 0.71 PI4KA (0.43) PI4KAPI4K2BPI4K2API4KBGPR84
SCHEMBL6753934 0.71 PI4KA (0.43) PI4KAPI4K2BPI4K2API4KBGPR84
SCHEMBL6753957 0.71 PI4KA (0.43) PI4KAPI4K2BPI4K2API4KBGPR84

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-6712262-B2 BENZIMIDAZOLE AND IODINE COMPOUNDS TAMURAKAKEN CORPORATION (JP) 2004-03-30 US disclosed
US-20030141351-A1 Water-soluble preflux, printed circuit board, and process for treating the surface of a metal in a printed circuit board TAMURA CORPORATION (JP) 2003-07-31 US disclosed