SCHEMBL20062875

SCHEMBL20062875

c1ccc2c(c1)N(c1cc3ccc4cccc5ccc(c1)c3c45)C(=C1N(c3cc4ccc5cccc6ccc(c3)c4c56)c3ccccc3N1c1cc3ccc4cccc5ccc(c1)c3c45)N2c1cc2ccc3cccc4ccc(c1)c2c34

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
HPGD P15428 6/20 0.44
HSD17B10 Q99714 4/20 0.44
CYP1A2 P05177 3/20 0.44
CYP1A1 P04798 2/20 0.44
CYP1B1 Q16678 2/20 0.44
TSHR P16473 2/20 0.44
CYP3A4 P08684 1/20 0.44
ERBB2 P04626 1/20 0.42
FYN P06241 1/20 0.42
MAOA P21397 1/20 0.42
ACHE P22303 1/20 0.42
AHR P35869 1/20 0.42
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
THRB P10828 1/20 0.37
KDM4E B2RXH2 4/20 0.36
HSP90AA1 P07900 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PDE6D O43924 1/20 0.36

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
SCHEMBL17794507 0.79 HSP90AA1 (0.57) ALDH1A1HPGDHSD17B10CYP1A2CYP3A4
SCHEMBL19343028 0.78 HSP90AA1 (0.50) ALDH1A1HPGDHSD17B10CYP1A2CYP3A4
SCHEMBL20071986 0.74 ALDH1A1 (0.42) ALDH1A1HPGDHSD17B10CYP1A2CYP1A1
SCHEMBL16490203 0.73 ALDH1A1 (0.37) ALDH1A1HPGDHSD17B10CYP1A2TSHR
SCHEMBL19343038 0.73 ALDH1A1 (0.48) ALDH1A1HPGDHSD17B10CYP1A2CYP1A1
SCHEMBL20062872 0.71 ALDH1A1 (0.50) ALDH1A1HPGDHSD17B10CYP1A2CYP1B1
SCHEMBL30286079 0.70 HSP90AA1 (0.61) ALDH1A1HPGDHSD17B10CYP1A2CYP3A4
SCHEMBL16281049 0.70 HSP90AA1 (0.61) ALDH1A1HPGDHSD17B10CYP1A2CYP3A4
SCHEMBL13886639 0.70 HSP90AA1 (0.61) ALDH1A1HPGDHSD17B10CYP1A2CYP3A4
SCHEMBL20062910 0.69 CYP1A2 (0.35) ALDH1A1HPGDHSD17B10CYP1A2TSHR

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-20180108691-A1 ORGANIC PHOTOELECTRIC CONVERSION ELEMENT, OPTICAL AREA SENSOR, IMAGING DEVICE, AND IMAGING APPARATUS CANON KABUSHIKI KAISHA (JP) 2018-04-19 US disclosed