SCHEMBL16558558

SCHEMBL16558558

c1ccc2c(c1)Sc1ccc(-c3c4ccccc4c(-c4ccc5c6c(cccc46)Sc4ccccc4-5)c4ccccc34)c3cccc-2c13

nearest known ligand 0.36

Predicted protein targets (top 20)

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
TYMS P04818 1/20 0.35
KDM4E B2RXH2 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PABPC1 P11940 2/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 6/20 0.33
HPGD P15428 3/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C19 P33261 2/20 0.33
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD1 P21728 1/20 0.33
TBXA2R P21731 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
SCHEMBL16558471 1.00 CRHBP (0.36) CRHBPCRHR2KEAP1NFE2L2TYMS
SCHEMBL18012107 0.98 CRHBP (0.37) CRHBPCRHR2KEAP1NFE2L2TYMS
SCHEMBL22969186 0.92 ACHE (0.34) CRHBPCRHR2KEAP1NFE2L2TYMS
SCHEMBL22969171 0.92 PDCD1 (0.36) CRHBPCRHR2KEAP1NFE2L2TYMS
SCHEMBL16558474 0.91 CRHBP (0.39) CRHBPCRHR2KEAP1NFE2L2TYMS
SCHEMBL22969353 0.90 ACHE (0.35) CRHBPCRHR2KEAP1NFE2L2TYMS
SCHEMBL22969461 0.90 PDCD1 (0.37) CRHBPCRHR2KEAP1NFE2L2TYMS
SCHEMBL22969193 0.89 ACHE (0.33) CRHBPCRHR2KEAP1NFE2L2
SCHEMBL22969196 0.89 ANPEP (0.36) CRHBPCRHR2KEAP1NFE2L2TYMS
SCHEMBL16558472 0.89 CRHBP (0.41) CRHBPCRHR2KEAP1NFE2L2TYMS

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-20150069344-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-03-12 US disclosed
US-20150069344-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-03-12 US disclosed