SCHEMBL7181940

SCHEMBL7181940

COC(=O)c1ccccc1C(c1ccc(N(C)C)cc1C)c1c(-c2ccccc2)n(C)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 4/20 0.46
GABRB3 P28472 4/20 0.46
GABRA3 P34903 4/20 0.46
GABRA1 P14867 3/20 0.46
GABRA2 P47869 3/20 0.46
ALDH1A1 P00352 3/20 0.37
HPGD P15428 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
GLA P06280 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NR4A2 P43354 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
GABRA5 P31644 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL7188922 0.92 GABRG2 (0.44) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL7188506 0.84 GABRA1 (0.45) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL7187904 0.81 NR4A2 (0.38) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL9665847 0.74 GABRG2 (0.39) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL7181782 0.73 MAPT (0.38) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL7193629 0.73 KDM4E (0.38) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL7193177 0.71 TSHR (0.39) ALDH1A1HPGDL3MBTL1TDP1KDM4E
SCHEMBL12765062 0.71 ATM (0.36) ALDH1A1HPGDL3MBTL1TDP1SMN1; SMN2
SCHEMBL18351210 0.70 ALDH1A1 (0.45) ALDH1A1HPGDL3MBTL1SMN1; SMN2KDM4E
SCHEMBL7185303 0.70 PTGER4 (0.36) GABRG2GABRB3GABRA3GABRA1GABRA2

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-6586364-B2 Shell walls; liquid coloring PENTAX CORPORATION (JP) 2003-07-01 US disclosed
US-20020168580-A1 Heat-sensitive microcapsule and recording medium using same ASAHI KOGAKU KOGYO KABUSHIKI KAISHA 2002-11-14 US disclosed