SCHEMBL24022271

SCHEMBL24022271

CCn1c2ccc(Oc3ccccc3)cc2c2cc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(N(c5ccccc5)c5ccc6c(c5)c5cc(Oc7ccccc7)ccc5n6CC)ccc3-4)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.37
GRIK2 Q13002 1/20 0.35
PTGER4 P35408 1/20 0.34
ACSS2 Q9NR19 1/20 0.34
MAPT P10636 4/20 0.33
HPGD P15428 3/20 0.33
KDM4E B2RXH2 2/20 0.33
NPY5R Q15761 1/20 0.33
MAPK1 P28482 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HTT P42858 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
HBB P68871 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GAA P10253 1/20 0.32
POLB P06746 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TP53 P04637 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
SCHEMBL24022272 0.95 GRIK2 (0.40) PDK2GRIK2PTGER4ACSS2MAPT
SCHEMBL21940164 0.91 MAPT (0.34) PDK2GRIK2PTGER4ACSS2MAPT
SCHEMBL21940162 0.91 GRIK2 (0.32) PDK2GRIK2PTGER4ACSS2MAPT
SCHEMBL21939876 0.90 METAP2 (0.39) PDK2ACSS2MAPTHPGDKDM4E
SCHEMBL21939616 0.89 GRIK2 (0.32) GRIK2PTGER4ACSS2MAPTHPGD
SCHEMBL21939867 0.88 PTGER4 (0.45) PDK2GRIK2PTGER4MAPTHPGD
SCHEMBL13634124 0.87 MAPT (0.45) MAPTHPGDKDM4ENPY5RMAPK1
SCHEMBL24022118 0.87 GRIK2 (0.37) PDK2GRIK2PTGER4MAPTHPGD
SCHEMBL21940158 0.87 GRIK2 (0.37) GRIK2PTGER4MAPTHPGDKDM4E
SCHEMBL21939875 0.86 PDK2 (0.31) PDK2NPY5RTP53THRB

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
US-11177403-B2 Perovskite solar cell KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2021-11-16 US disclosed