SCHEMBL11954571

SCHEMBL11954571

N#Cc1ccc2c(c1)-c1ccc3c4ccc5c6cc7c(cc6c6ccc(c8ccc-2c1c83)c4c65)cc1c2ccccc2c2cccc7c21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34
HIF1A Q16665 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP19A1 P11511 1/20 0.33
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
PTK2B Q14289 1/20 0.31
ADORA2A P29274 1/20 0.31
PDK2 Q15119 1/20 0.30
AR P10275 1/20 0.30
PARP14 Q460N5 1/20 0.30

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
SCHEMBL23081551 0.77 PARP14 (0.33) ALDH1A1POLBMAPTHTTKMT2A
SCHEMBL12927509 0.77 CA1 (0.42) CA1CA2ALDH1A1HPGDHSD17B10
SCHEMBL24741396 0.76 CA1 (0.46) CA1CA2ALDH1A1HPGDTSHR
SCHEMBL23081550 0.75 CA1 (0.33) CA1CA2ALDH1A1HPGDTSHR
SCHEMBL22727720 0.74 PARP14 (0.33) CA1CA2ALDH1A1HPGDTSHR
SCHEMBL12682329 0.74 DPP4 (0.38) CA1CA2ALDH1A1HPGDTSHR
SCHEMBL20149201 0.73 AR (0.33) PDK2ARPARP14
SCHEMBL10038784 0.73 MEN1 (0.42) ALDH1A1TSHRCYP19A1KMT2AGABRA1
SCHEMBL11423902 0.72 CA1 (0.40) CA1CA2TSHRCYP19A1KMT2A
SCHEMBL15385299 0.72 ALDH1A1 (0.36) ALDH1A1HPGDTSHRMAPK1CASP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2665691-B1 ORGANIC COMPOUND, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND IMAGE DISPLAY DEVICE CANON KK (JP) 2020-02-12 EP disclosed
US-9240554-B2 Organic compound, organic electroluminescence element, and image display device CANON KABUSHIKI KAISHA (JP) 2016-01-19 US disclosed
US-20130300638-A1 ORGANIC COMPOUND, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND IMAGE DISPLAY DEVICE CANON KABUSHIKI KAISHA (JP) 2013-11-14 US disclosed
WO-2012098793-A1 ORGANIC COMPOUND, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND IMAGE DISPLAY DEVICE CANON KABUSHIKI KAISHA (JP) 2012-07-26 WO disclosed