SCHEMBL21940552

SCHEMBL21940552

CCn1c2ccc(C)cc2c2cc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3cc(N(c5ccccc5)c5ccc6c(c5)c5cc(C)ccc5n6CC)ccc3-4)ccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2A Q12879 2/20 0.33
RORC P51449 2/20 0.33
PGR P06401 1/20 0.33
RORA P35398 1/20 0.33
RORB Q92753 1/20 0.33
NLRP3 Q96P20 1/20 0.32
MAPT P10636 5/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
KDM4E B2RXH2 3/20 0.32
HPGD P15428 2/20 0.32
MAPK1 P28482 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
HBB P68871 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NPY5R Q15761 1/20 0.31

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
SCHEMBL21984811 0.92 MAPT (0.41) RORCMAPTMEN1KMT2AKDM4E
SCHEMBL24022278 0.92 RORC (0.38) RORCPGRRORARORBNLRP3
SCHEMBL24022150 0.92 GRIK2 (0.36) ACHEGRIN1GRIN2AMAPTMEN1
SCHEMBL21940003 0.91 RORC (0.36) RORCPGRRORARORBNLRP3
SCHEMBL21940556 0.90 NLRP3 (0.30) NLRP3
SCHEMBL21940554 0.87 CSF1R (0.31) MAPTMEN1KMT2AKDM4EHPGD
SCHEMBL21940162 0.87 GRIK2 (0.32) MAPTMEN1KMT2AKDM4EHPGD
SCHEMBL21939956 0.86 RORC (0.33) RORCPGRRORARORBNLRP3
SCHEMBL21939628 0.86 KDM1A (0.36) MAPTMEN1KMT2AKDM4EHPGD
SCHEMBL21984615 0.85 MEN1 (0.32) RORCPGRRORARORBNLRP3

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-11177403-B2 Perovskite solar cell KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2021-11-16 US disclosed
US-20200119206-A1 PEROVSKITE SOLAR CELL KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2020-04-16 US disclosed