SCHEMBL7187749

SCHEMBL7187749

COC(=O)c1cc(N(C)C)ccc1C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.45
ALDH1A1 P00352 6/20 0.44
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA3 P34903 2/20 0.43
GABRA2 P47869 2/20 0.43
GABRA1 P14867 1/20 0.43
TSHR P16473 3/20 0.40
MAPK1 P28482 3/20 0.40
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
GAA P10253 3/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 2/20 0.40
NPC1 O15118 2/20 0.40
MAPT P10636 5/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL9665829 0.86 KMT2A (0.41) SLC2A1ALDH1A1TSHRMAPK1KDM4E
SCHEMBL7186547 0.85 ALDH1A1 (0.45) SLC2A1ALDH1A1GABRG2GABRB3GABRA3
SCHEMBL9665847 0.84 GABRG2 (0.39) ALDH1A1GABRG2GABRB3GABRA3GABRA2
SCHEMBL7182822 0.83 ALDH1A1 (0.40) SLC2A1ALDH1A1GABRG2GABRB3GABRA3
SCHEMBL7778141 0.83 ALDH1A1 (0.45) SLC2A1ALDH1A1TSHRMAPK1KDM4E
SCHEMBL10693210 0.81 SLC2A1 (0.59) SLC2A1ALDH1A1GABRG2GABRB3GABRA3
SCHEMBL9664853 0.81 GABRA1 (0.42) ALDH1A1GABRG2GABRB3GABRA3GABRA2
SCHEMBL9665764 0.80 ALDH1A1 (0.48) SLC2A1ALDH1A1TSHRMAPK1KDM4E
SCHEMBL13140039 0.79 MEN1 (0.35) SLC2A1ALDH1A1TSHRMAPK1KDM4E
SCHEMBL8762164 0.77 CA12 (0.47) ALDH1A1GABRG2GABRB3GABRA3GABRA2

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 3 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
EP-0486749-A1 Triarylmethane compounds and pressure sensitive recording material HODOGAYA CHEMICAL CO., LTD. (JP) 1992-05-27 EP disclosed