SCHEMBL7186547

SCHEMBL7186547

COC(=O)c1ccccc1C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
KMT2A Q03164 3/20 0.45
GAA P10253 3/20 0.45
TDP1 Q9NUW8 3/20 0.45
SLC2A1 P11166 1/20 0.45
TSHR P16473 4/20 0.44
LMNA P02545 2/20 0.44
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
HSD17B10 Q99714 2/20 0.42
CFTR P13569 1/20 0.42
CNR2 P34972 1/20 0.42
KDM4E B2RXH2 4/20 0.41
POLB P06746 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 3/20 0.41

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
SCHEMBL7187749 0.85 SLC2A1 (0.45) ALDH1A1KMT2AGAATDP1SLC2A1
SCHEMBL8021409 0.84 KMT2A (0.53) ALDH1A1KMT2AGAATDP1TSHR
SCHEMBL9664853 0.75 GABRA1 (0.42) ALDH1A1KMT2AGAATDP1TSHR
SCHEMBL6559034 0.74 SLC2A1 (0.58) ALDH1A1KMT2ATDP1SLC2A1TSHR
SCHEMBL254882 0.73 TSHR (0.59) ALDH1A1KMT2AGAATDP1TSHR
SCHEMBL13649911 0.73 SLC2A1 (0.46) ALDH1A1KMT2AGAATDP1SLC2A1
SCHEMBL11790572 0.72 SLC2A1 (0.44) ALDH1A1GAATDP1SLC2A1TSHR
SCHEMBL10689340 0.72 TP53 (0.42) ALDH1A1KMT2AGAATDP1SLC2A1
SCHEMBL996468 0.72 TSHR (0.57) ALDH1A1KMT2AGAATSHRLMNA
Hydrogen Peroxide SCHEMBL28473316 0.72 TSHR (0.57) ALDH1A1KMT2AGAATDP1TSHR

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