SCHEMBL23487178

SCHEMBL23487178

Clc1cccc2[nH]cc(Nc3ccccc3Br)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.46
NR4A2 P43354 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2C P18825 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
CYP2A6 P11509 1/20 0.41
MAPK14 Q16539 1/20 0.39
SLC6A4 P31645 1/20 0.38
CXCR2 P25025 3/20 0.37
LRRK2 Q5S007 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
IDO1 P14902 1/20 0.35
PTGS1 P23219 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL23487233 0.89 GPR84 (0.37) GPR84NR4A2CA1CA2CA9
SCHEMBL4587369 0.76 GPR84 (0.58) GPR84NR4A2CA1CA2CA9
SCHEMBL13652997 0.71 MT-CO2 (0.57) ADRA2AADRA1ALRRK2ALDH1A1MAPT
SCHEMBL23487223 0.71 CXCR2 (0.36) CA2ADRA2AADRA2CADRA1DADRA1A
SCHEMBL1335946 0.71 ALDH1A1 (0.54) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL31744647 0.70 CYP2A6 (0.45) CYP2A6MAPK14SLC6A4GRM4
SCHEMBL15826494 0.69 GPR84 (0.64) GPR84NR4A2CA1CA2CA9
SCHEMBL29764387 0.69 GPR84 (0.64) GPR84NR4A2CA1CA2CA9
SCHEMBL31744722 0.69 GPR84 (0.46) GPR84NR4A2ADRA2AADRA2CADRA1D
SCHEMBL15826665 0.69 GPR84 (0.58) GPR84NR4A2CA1CA2CA9

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