SCHEMBL20861069

SCHEMBL20861069

CCCc1ccc(CCc2ccnn2C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
LPL P06858 2/20 0.37
LIPG Q9Y5X9 2/20 0.37
MGLL Q99685 1/20 0.37
NISCH Q9Y2I1 1/20 0.37
HTR1D P28221 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA2 P00918 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP19A1 P11511 1/20 0.35

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
SCHEMBL10245934 0.86
SCHEMBL14937886 0.84 CYP19A1 (0.41) KMT2AL3MBTL1ALDH1A1CYP19A1
SCHEMBL14938186 0.83 GPR52 (0.47) KMT2AL3MBTL1CYP19A1KCNH2LMNA
SCHEMBL14938123 0.80 TAAR1 (0.44)
SCHEMBL17788545 0.79 CYP1A2 (0.45) KMT2AL3MBTL1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL8599492 0.77 CYP3A4 (0.44) KMT2AL3MBTL1ALDH1A1KDM4ECYP1A2
SCHEMBL14937676 0.76 DAO (0.41) KMT2AL3MBTL1ALDH1A1HTTCYP3A4
SCHEMBL21217018 0.76 TLR7 (0.43) KMT2AL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL30712270 0.76 TLR7 (0.43) KMT2AL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL256680 0.73

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
EP-1659881-B1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF SENOMYX INC (US) 2019-04-03 EP disclosed