SCHEMBL19986101

SCHEMBL19986101

c1ccc2c(c1)-c1cccc3c(-c4ccc(-n5c6ccccc6c6c7c8ccccc8c8ccccc8c7c7c8ccccc8oc7c65)cc4)ccc-2c13

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.33
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
CDC14B O60729 2/20 0.32
CDC14A Q9UNH5 2/20 0.32
CYP17A1 P05093 1/20 0.30
CYP19A1 P11511 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30

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
SCHEMBL17405654 0.94 ALOX5 (0.33) ALOX5CRHBPCRHR2KEAP1NFE2L2
SCHEMBL17341545 0.93 ALOX5 (0.34) ALOX5CRHBPCRHR2KEAP1NFE2L2
SCHEMBL17405534 0.93 ALOX5 (0.34) ALOX5CRHBPCRHR2KEAP1NFE2L2
SCHEMBL17406101 0.92 ALDH1A1 (0.35) ALOX5CRHBPCRHR2KEAP1NFE2L2
SCHEMBL17405310 0.92 ALDH1A1 (0.35) ALOX5CRHBPCRHR2KEAP1NFE2L2
SCHEMBL17405736 0.92 ALOX5 (0.33) ALOX5CRHBPCRHR2KEAP1NFE2L2
SCHEMBL17405791 0.91 ALDH1A1 (0.36) ALOX5CRHBPCRHR2KEAP1NFE2L2
SCHEMBL17405387 0.91 ALDH1A1 (0.36) ALOX5CRHBPCRHR2KEAP1NFE2L2
SCHEMBL17341618 0.91 ALOX5 (0.35) ALOX5CDC14BCDC14ACYP17A1CYP19A1
SCHEMBL17406182 0.90 KDM4E (0.33) ALOX5KEAP1NFE2L2CDC14BCDC14A

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