SCHEMBL24022281

SCHEMBL24022281

CCn1c2ccc(-c3ccccc3)cc2c2cc(N(c3ccccc3)c3ccc4c(c3)C3(c5cc(N(c6ccccc6)c6ccc7c(c6)c6cc(-c8ccccc8)ccc6n7CC)ccc5-4)c4ccsc4-c4sccc43)ccc21

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSPO P30536 3/20 0.36
NPY5R Q15761 3/20 0.34
PTGER4 P35408 6/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
HBB P68871 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
RAC2 P15153 1/20 0.31
RAC3 P60763 1/20 0.31
CDC42 P60953 1/20 0.31
RAC1 P63000 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
SCHEMBL24022282 0.93 TSPO (0.40) TSPONPY5RPTGER4KDM4EALDH1A1
SCHEMBL21940545 0.90 METAP2 (0.33) TSPONPY5R
SCHEMBL21984615 0.89 MEN1 (0.32) NPY5RKDM4EMEN1ALDH1A1MAPT
SCHEMBL24022110 0.88 TSPO (0.39) TSPONPY5RPTGER4KDM4EMEN1
SCHEMBL24022280 0.88 KDM4E (0.31) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL21939883 0.87 CSF1R (0.31) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL21939616 0.86 GRIK2 (0.32) NPY5RPTGER4KDM4EMAPTHPGD
SCHEMBL21940562 0.85 KDM1A (0.36) NPY5RKDM4EMEN1ALDH1A1MAPT
SCHEMBL21940541 0.84 METAP2 (0.36) TSPOKDM4EALDH1A1MAPTHPGD
SCHEMBL21939998 0.83 TSPO (0.36) TSPONPY5RPTGER4KDM4EMEN1

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