SCHEMBL8715012

SCHEMBL8715012

COc1ccc(-c2ccccc2C(=O)Nc2ccccc2)cc1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.89
POLB P06746 1/20 0.89
KDM4E B2RXH2 2/20 0.73
CHRNB2 P17787 1/20 0.71
CHRNB4 P30926 1/20 0.71
CHRNA3 P32297 1/20 0.71
CHRNA4 P43681 1/20 0.71
RAB9A P51151 3/20 0.62
NPC1 O15118 2/20 0.62
HTT P42858 1/20 0.61
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
METAP2 P50579 1/20 0.59
ALDH1A1 P00352 3/20 0.58
PNLIP P16233 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
LMNA P02545 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
ALOX12 P18054 1/20 0.58

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
SCHEMBL31393767 1.00 GAA (0.89) GAAPOLBKDM4ECHRNB2CHRNB4
SCHEMBL7132902 0.93 GAA (0.87) GAAPOLBKDM4ECHRNB2CHRNB4
SCHEMBL7303620 0.87 GAA (0.76) GAAPOLBKDM4ECHRNB2CHRNB4
SCHEMBL7087225 0.87 GAA (0.76) GAAPOLBKDM4ECHRNB2CHRNB4
SCHEMBL1017796 0.84 CHRNB2 (1.00) GAAPOLBKDM4ECHRNB2CHRNB4
SCHEMBL6300807 0.83 GAA (0.80) GAAPOLBKDM4ECHRNB2CHRNB4
SCHEMBL31393753 0.83 CHRNB2 (0.78) GAAPOLBKDM4ECHRNB2CHRNB4
SCHEMBL29201481 0.83 GAA (0.67) GAAPOLBKDM4ENPC1HTT
SCHEMBL974430 0.83 GAA (0.67) GAAPOLBKDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL29598779 0.82 CHRNB2 (0.96) GAAPOLBKDM4ECHRNB2CHRNB4

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
US-5851951-A Heat sensitive recording material OJI PAPER CO., LTD. (JP) 1998-12-22 US disclosed