SCHEMBL7608595

SCHEMBL7608595

CC(C)CCc1nc2c(Cl)cccc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 2/20 0.45
AAK1 Q2M2I8 5/20 0.44
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ADORA1 P30542 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
MAOB P27338 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38

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
SCHEMBL6756268 0.83 AAK1 (0.45) AAK1ALDH1A1MGAMGAASI
SCHEMBL1917492 0.83 PSMB8 (0.49) PSMB8KDM4EADORA1ADORA3MGAM
SCHEMBL1918622 0.79 DDAH1 (0.53) PSMB8ADORA1ADORA3MGAMGAA
SCHEMBL7854606 0.78 PSMB8 (0.44) PSMB8ADORA1CYP1A2CYP3A4CYP2D6
SCHEMBL7614958 0.78 POLB (0.45) PSMB8KDM4EPOLB
SCHEMBL2307747 0.77 PSMB8 (0.53) PSMB8ADORA1CYP1A2CYP3A4CYP2D6
SCHEMBL2866147 0.77 AAK1 (0.38) AAK1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2842462 0.77 PSMB8 (0.43) PSMB8KDM4EADORA1ADORA3MGAM
SCHEMBL7608600 0.76 AAK1 (0.43) AAK1KDM4EALDH1A1HSD17B10CYP1A2
SCHEMBL2845899 0.76 POLB (0.46) PSMB8KDM4EADORA1L3MBTL1ADORA3

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-20020067486-A1 Solderability assessment AMERICAN COMPETITIVENESS INSTITUTE 2002-06-06 US disclosed
US-5348590-A Surface treating agent for copper or copper alloys HITACHI, LTD. (JP) 1994-09-20 US disclosed