SCHEMBL28547818

SCHEMBL28547818

Nc1ccc(C(=O)Nn2nnc3ccccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4Z1 Q86W10 5/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C8 P10632 1/20 0.44
CYP2B6 P20813 1/20 0.44
CYP4F8 P98187 1/20 0.44
CYP4F12 Q9HCS2 1/20 0.44
MGAM O43451 6/20 0.43
AMY1A P0DUB6 6/20 0.43
GAA P10253 6/20 0.43
SI P14410 6/20 0.43
MGAM2 Q2M2H8 6/20 0.43
KMT2A Q03164 4/20 0.43
HPGD P15428 2/20 0.43
F2 P00734 1/20 0.43
SLC9A1 P19634 1/20 0.43
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL1757405 0.79 CYP4Z1 (0.50) CYP4Z1CYP1A2CYP2C8CYP2B6CYP4F8
SCHEMBL2748 0.79 CYP4Z1 (0.50) CYP4Z1CYP1A2CYP2C8CYP2B6CYP4F8
SCHEMBL1757403 0.75 CYP4Z1 (0.50) CYP4Z1CYP1A2CYP2C8CYP2B6CYP4F8
SCHEMBL9346882 0.75 CYP4Z1 (0.50) CYP4Z1CYP1A2CYP2C8CYP2B6CYP4F8
SCHEMBL6933151 0.74 MGAM (0.53) CYP4Z1CYP1A2CYP2C8CYP2B6CYP4F8
SCHEMBL14359614 0.73 CYP4Z1 (0.48) CYP4Z1CYP1A2CYP2C8CYP2B6CYP4F8
SCHEMBL6388692 0.73 CYP4Z1 (0.58) CYP4Z1CYP1A2CYP2C8CYP2B6CYP4F8
SCHEMBL5851764 0.72 CYP4Z1 (0.57) CYP4Z1CYP1A2CYP2C8CYP2B6CYP4F8
SCHEMBL4866578 0.72 CYP4Z1 (0.53) CYP4Z1CYP1A2CYP2C8CYP2B6CYP4F8
SCHEMBL2298574 0.71 HDAC3 (0.71) MGAMAMY1AGAASIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112004845-A Resin composition, laminate, semiconductor wafer with resin composition layer, substrate for mounting semiconductor with resin composition layer, and semiconductor device 三菱瓦斯化学株式会社 2020-11-27 CN disclosed