SCHEMBL7608071

SCHEMBL7608071

C=CCc1cccc2c1[N]c1ccccc1-2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.49
GABRB2 P47870 1/20 0.49
AKR1B1 P15121 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 5/20 0.33
KMT2A Q03164 5/20 0.33
ALDH1A1 P00352 4/20 0.33
MAPT P10636 3/20 0.32

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
SCHEMBL5600247 0.77 GABRA1 (0.39) GABRA1GABRB2L3MBTL1LMNACYP2D6
SCHEMBL5602181 0.74 PPARA (0.33) KDM4EGAAHPGDALDH1A1ADRA2B
SCHEMBL5603742 0.74 HTR2A (0.39) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL29900352 0.72 GABRA1 (0.61) GABRA1GABRB2AKR1B1L3MBTL1LMNA
SCHEMBL2362466 0.72 GABRA1 (0.61) GABRA1GABRB2AKR1B1L3MBTL1LMNA
SCHEMBL5603464 0.71 P2RX7 (0.36) CYP3A4HPGDCYP2C19ALDH1A1USP2
SCHEMBL3801863 0.71 GABRA1 (0.55) GABRA1GABRB2AKR1B1L3MBTL1LMNA
SCHEMBL1079897 0.70 GABRA1 (0.42) GABRA1GABRB2AKR1B1L3MBTL1LMNA
SCHEMBL1078360 0.70 GABRA1 (0.42) GABRA1GABRB2AKR1B1L3MBTL1LMNA
SCHEMBL6537109 0.70 GABRA1 (0.59) GABRA1GABRB2AKR1B1L3MBTL1LMNA

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-0879841-B1 Silicon compound, method for making the same, and electroluminescent device using the same CANON KK (JP) 2002-10-30 EP disclosed