SCHEMBL19986092

SCHEMBL19986092

c1ccc2c(c1)-c1cccc3c(-n4c5ccccc5c5c6c7ccccc7c7ccccc7c6c6c7ccccc7oc6c54)ccc-2c13

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
ALOX5 P09917 2/20 0.34
CDC14B O60729 2/20 0.32
CDC14A Q9UNH5 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP1 P29466 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL17405650 0.94 CRHBP (0.36) CRHBPCRHR2KEAP1NFE2L2ALOX5
SCHEMBL17405533 0.92 KEAP1 (0.37) CRHBPCRHR2KEAP1NFE2L2ALOX5
SCHEMBL17341544 0.92 CRHBP (0.37) CRHBPCRHR2KEAP1NFE2L2ALOX5
SCHEMBL17405734 0.91 ALOX5 (0.35) CRHBPCRHR2KEAP1NFE2L2ALOX5
SCHEMBL17341620 0.90 ALOX5 (0.36) CRHBPCRHR2KEAP1NFE2L2ALOX5
SCHEMBL22011402 0.89 CRHBP (0.33) CRHBPCRHR2KEAP1NFE2L2ALOX5
SCHEMBL17406111 0.88 ALDH1A1 (0.36) CRHBPCRHR2KEAP1NFE2L2ALOX5
SCHEMBL17405312 0.88 ALDH1A1 (0.36) CRHBPCRHR2KEAP1NFE2L2ALOX5
SCHEMBL17341547 0.88 CRHBP (0.36) CRHBPCRHR2KEAP1NFE2L2ALOX5
SCHEMBL17341606 0.88 ALOX5 (0.34) CRHBPCRHR2KEAP1NFE2L2ALOX5

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-20180083202-A1 COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2018-03-22 US disclosed
US-20180083202-A1 COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2018-03-22 US disclosed