SCHEMBL23487233

SCHEMBL23487233

Clc1cccc2ccc3[nH]cc(Nc4ccccc4Br)c3c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.37
ADRA2A P08913 1/20 0.35
ADRA2C P18825 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
LRRK2 Q5S007 1/20 0.35
NR4A2 P43354 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
MAPK14 Q16539 1/20 0.33
CXCR2 P25025 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
CYP2A6 P11509 1/20 0.33
IGF1R P08069 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32

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
SCHEMBL23487178 0.89 GPR84 (0.46) GPR84ADRA2AADRA2CADRA1DADRA1A
SCHEMBL23467130 0.78 GPR84 (0.46) GPR84NR4A2CA1CA2CA9
SCHEMBL23487238 0.74 LRRK2 (0.35) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL23487214 0.74 LRRK2 (0.35) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL24332896 0.70 IGF1R (0.46) ADRA2AADRA2CLRRK2MAPTCYP2A6
SCHEMBL4587369 0.66 GPR84 (0.58) GPR84NR4A2CA1CA2CA9
SCHEMBL31744722 0.66 GPR84 (0.46) GPR84ADRA2AADRA2CADRA1DADRA1A
SCHEMBL13652997 0.66 MT-CO2 (0.57) ADRA2AADRA1ALRRK2ALDH1A1MAPT
SCHEMBL2696664 0.65 CYP1A2 (0.42) ALDH1A1MAPTCYP2A6L3MBTL1
SCHEMBL29428570 0.65 CYP1A2 (0.42) ALDH1A1MAPTCYP2A6L3MBTL1

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
WO-2021112478-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2021-06-10 WO disclosed