SCHEMBL21173403

SCHEMBL21173403

Cc1ccc(-c2ccccc2)c(N(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.44
PSMB5 P28074 2/20 0.43
ESR2 Q92731 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
MAOB P27338 2/20 0.40
ELANE P08246 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 2/20 0.38
TP53 P04637 2/20 0.38
RAB9A P51151 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
ADORA2A P29274 1/20 0.38
LMNA P02545 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL22137224 0.84 HDAC7 (0.45) PGRPSMB5ESR2HDAC7MAOB
SCHEMBL19929758 0.82 PGR (0.45) PGRPSMB5ESR2MAOBKDM4E
SCHEMBL25565882 0.81 PSMB5 (0.41) PSMB5ESR2HDAC7MAOBELANE
SCHEMBL16559110 0.79 PGR (0.48) PGRPSMB5ESR2HDAC7MAOB
SCHEMBL30111058 0.78 PGR (0.43) PGRESR2KDM4EMEN1KMT2A
SCHEMBL29926882 0.78 ALOX5 (0.59) PGRESR2ALDH1A1KMT2ATSHR
SCHEMBL3786439 0.78 PGR (0.43) PGRPTGDR2KDM4EALDH1A1MEN1
SCHEMBL31393788 0.78 HDAC7 (0.44) PSMB5ESR2HDAC7MAOBPTGDR2
SCHEMBL3005820 0.76 ELANE (0.52) PSMB5ESR2HDAC7MAOBELANE
SCHEMBL29433183 0.76 ALDH1A1 (0.45) PGRKDM4EALDH1A1L3MBTL1MEN1

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-20190221375-A1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE SOLUTION, AND OXIDE SEMICONDUCTOR ELECTRODE FUJIFILM CORPORATION (JP) 2019-07-18 US disclosed