SCHEMBL24022110

SCHEMBL24022110

CCn1c2ccc(-c3ccccc3)cc2c2cc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(N(c5ccccc5)c5ccc6c(c5)c5cc(-c7ccccc7)ccc5n6CC)ccc3-4)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSPO P30536 3/20 0.39
NPY5R Q15761 4/20 0.38
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
MAPK1 P28482 2/20 0.34
KMT2A Q03164 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
HBB P68871 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RAC2 P15153 1/20 0.34
RAC3 P60763 1/20 0.34
CDC42 P60953 1/20 0.34
RAC1 P63000 1/20 0.34
PDK2 Q15119 2/20 0.33
PTGER4 P35408 3/20 0.33
POLB P06746 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
SCHEMBL13803219 0.95 TSPO (0.44) TSPONPY5RMEN1MAPTMAPK1
SCHEMBL24022109 0.92 TSPO (0.43) TSPONPY5RMAPTKDM4EALDH1A1
SCHEMBL21939998 0.91 TSPO (0.36) TSPONPY5RMEN1MAPTMAPK1
SCHEMBL13634124 0.90 MAPT (0.45) NPY5RMEN1MAPTMAPK1KMT2A
SCHEMBL21940000 0.89 METAP2 (0.38) NPY5RPDK2
SCHEMBL24022281 0.88 TSPO (0.36) TSPONPY5RMEN1MAPTMAPK1
SCHEMBL17194472 0.88 TSPO (0.42) TSPONPY5RMEN1MAPTMAPK1
SCHEMBL21940003 0.88 RORC (0.36) NPY5RMEN1MAPTMAPK1KMT2A
SCHEMBL13805372 0.86 TSPO (0.44) TSPONPY5RMEN1MAPTMAPK1
SCHEMBL24022276 0.86 MAPT (0.48) NPY5RMEN1MAPTMAPK1KMT2A

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