SCHEMBL21940555

SCHEMBL21940555

CCn1c2cc(C)ccc2c2ccc(N(c3ccc(OC)cc3)c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3cc(N(c5ccc(OC)cc5)c5ccc6c7ccc(C)cc7n(CC)c6c5)ccc3-4)cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.35
GRIK2 Q13002 3/20 0.33
MAPT P10636 3/20 0.32
KDM4E B2RXH2 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NOX1 Q9Y5S8 2/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL21939862 0.93 KDM4E (0.38) DYRK1AGRIK2MAPTKDM4ESMN1; SMN2
SCHEMBL24022126 0.92 DYRK1A (0.36) DYRK1AGRIK2MAPTKDM4ESMN1; SMN2
SCHEMBL21940556 0.92 NLRP3 (0.30)
SCHEMBL24022150 0.91 GRIK2 (0.36) GRIK2MAPTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL21940004 0.91 DYRK1A (0.39) DYRK1AGRIK2MAPTKDM4ESMN1; SMN2
SCHEMBL24022279 0.91 DYRK1A (0.39) DYRK1AGRIK2MAPTKDM4ESMN1; SMN2
SCHEMBL21940012 0.89 METAP2 (0.37) DYRK1AGRIK2MAPTKDM4ESMN1; SMN2
SCHEMBL21940016 0.89 DYRK1A (0.36) DYRK1AGRIK2MAPTKDM4ESMN1; SMN2
SCHEMBL21939955 0.87 DYRK1A (0.33) DYRK1AGRIK2MAPTKDM4ESMN1; SMN2
SCHEMBL21939861 0.87 MAPT (0.41) GRIK2MAPTKDM4ESMN1; SMN2ALDH1A1

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