SCHEMBL20071986

SCHEMBL20071986

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.42
HPGD P15428 7/20 0.42
HSD17B10 Q99714 6/20 0.42
CYP1A2 P05177 3/20 0.42
TSHR P16473 3/20 0.42
CYP1A1 P04798 2/20 0.42
CYP1B1 Q16678 2/20 0.42
CYP3A4 P08684 1/20 0.42
ERBB2 P04626 1/20 0.41
FYN P06241 1/20 0.41
MAOA P21397 1/20 0.41
ACHE P22303 1/20 0.41
AHR P35869 1/20 0.41
KDM4E B2RXH2 6/20 0.37
GAA P10253 4/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
ALOX12 P18054 1/20 0.37
THRB P10828 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL17786071 0.80 HSP90AA1 (0.46) ALDH1A1HPGDHSD17B10CYP1A2CYP3A4
SCHEMBL20071959 0.78 HSP90AA1 (0.40) ALDH1A1HPGDHSD17B10CYP1A2CYP3A4
SCHEMBL20062875 0.74 ALDH1A1 (0.44) ALDH1A1HPGDHSD17B10CYP1A2TSHR
SCHEMBL20071828 0.74 CYP1A2 (0.50) CYP1A2ERBB2ACHEMAPTL3MBTL1
SCHEMBL20071762 0.74 ALDH1A1 (0.47) ALDH1A1HPGDHSD17B10CYP1A2TSHR
SCHEMBL20071979 0.72 ALDH1A1 (0.48) ALDH1A1HPGDHSD17B10CYP1A2TSHR
SCHEMBL20681890 0.71 HCRTR1 (0.35) ALDH1A1HPGDCYP1A2KDM4ETDP1
SCHEMBL20072021 0.70 CYP1A2 (0.49) ALDH1A1HPGDHSD17B10CYP1A2TSHR
SCHEMBL20072022 0.70 CYP2A6 (0.50) ALDH1A1HPGDCYP1A2CYP3A4GAA
SCHEMBL17364348 0.69 GAA (0.41) ALDH1A1HPGDCYP1A2KDM4EGAA

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-10541260-B2 Organic photoelectric conversion element, optical area sensor, imaging device, and imaging apparatus CANON KABUSHIKI KAISHA (JP) 2020-01-21 US disclosed
US-20180108691-A1 ORGANIC PHOTOELECTRIC CONVERSION ELEMENT, OPTICAL AREA SENSOR, IMAGING DEVICE, AND IMAGING APPARATUS CANON KABUSHIKI KAISHA (JP) 2018-04-19 US disclosed