SCHEMBL22058554

SCHEMBL22058554

CC1(C)c2ccccc2-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4ccccc45)n3)c21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.35
TTR P02766 1/20 0.34
AHR P35869 1/20 0.34
MAPT P10636 4/20 0.33
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
ALOX5 P09917 1/20 0.33
PGR P06401 1/20 0.33
TSHR P16473 3/20 0.33
PTGER4 P35408 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TP53 P04637 1/20 0.33
NFKB1 P19838 1/20 0.33
MAPK1 P28482 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33

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
SCHEMBL22058558 0.96 HCRTR1 (0.37) HCRTR1TTRAHRMAPTKMT2A
SCHEMBL24097623 0.94 ALOX5 (0.44) HCRTR1MAPTKMT2AMEN1ALDH1A1
SCHEMBL21707353 0.92 HCRTR1 (0.35) HCRTR1AHRMAPTKMT2AMEN1
SCHEMBL27069023 0.91 MEN1 (0.34) HCRTR1TTRKMT2AMEN1ALDH1A1
SCHEMBL24293796 0.90 TTR (0.33) HCRTR1TTRAHRMAPTKMT2A
SCHEMBL27069024 0.90 HCRTR1 (0.33) HCRTR1TTRKMT2AMEN1SMN1; SMN2
SCHEMBL27069385 0.90 HCRTR1 (0.33) HCRTR1TTRKMT2AMEN1SMN1; SMN2
SCHEMBL27069381 0.90 HCRTR1 (0.33) HCRTR1TTRKMT2AMEN1SMN1; SMN2
SCHEMBL23935959 0.90 AHR (0.33) HCRTR1TTRAHRMAPTKMT2A
SCHEMBL20465211 0.90 CHEK2 (0.39) TTRAHRMAPTKMT2AMEN1

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-20230059210-A1 ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2023-02-23 US disclosed
WO-2020109269-A1 ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2020-06-04 WO disclosed