SCHEMBL18751635

SCHEMBL18751635

N#CCc1ccc2c3c(cccc13)-c1ccccc1-2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
PABPC1 P11940 2/20 0.43
ALDH1A1 P00352 5/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 2/20 0.41
HSD17B10 Q99714 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CASP1 P29466 1/20 0.41
HIF1A Q16665 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HKDC1 Q2TB90 1/20 0.37
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
CYP1A2 P05177 3/20 0.35

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
SCHEMBL6562924 0.81 ALDH1A1 (0.45) ALDH1A1HPGDKDM4EMAPTSMN1; SMN2
SCHEMBL10648237 0.78 CRHBP (0.52) CRHBPCRHR2KEAP1NFE2L2PABPC1
SCHEMBL21617927 0.77 ALDH1A1 (0.45) ALDH1A1HPGDKDM4EMAPTSMN1; SMN2
SCHEMBL10490096 0.76 PABPC1 (0.50) CRHBPCRHR2KEAP1NFE2L2PABPC1
SCHEMBL10645862 0.76 CRHBP (0.50) CRHBPCRHR2KEAP1NFE2L2PABPC1
SCHEMBL30559660 0.74 CYP1A2 (0.52) ALDH1A1HPGDKDM4EMAPTTDP1
SCHEMBL182660 0.74 CYP1A2 (0.52) ALDH1A1HPGDKDM4EMAPTTDP1
SCHEMBL24227537 0.73 KDM4E (0.56) ALDH1A1HPGDTSHRHSD17B10L3MBTL1
SCHEMBL9751572 0.73 CRHBP (0.47) CRHBPCRHR2KEAP1NFE2L2PABPC1
SCHEMBL27917251 0.73 KEAP1 (0.47) CRHBPCRHR2KEAP1NFE2L2PABPC1

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-20170110667-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2017-04-20 US disclosed