SCHEMBL19986015

SCHEMBL19986015

c1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5c6c7ccccc7c7ccccc7c6c6c7ccccc7sc6c54)nc4cnccc34)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.34
DHODH Q02127 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP11B1 P15538 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
SCHEMBL19986043 0.98 EGFR (0.35) EGFRDHODHKDM4EALDH1A1HPGD
SCHEMBL19986001 0.95 EGFR (0.31) EGFRDHODH
SCHEMBL19986005 0.92 EGFR (0.40) EGFRKDM4EALDH1A1HPGDLMNA
SCHEMBL19986028 0.90 EGFR (0.42) EGFRKDM4EALDH1A1HPGDLMNA
SCHEMBL16206310 0.86 EGFR (0.41) EGFRKDM4EALDH1A1HPGDLMNA
SCHEMBL19986050 0.86 EGFR (0.37) EGFRKDM4EALDH1A1HPGDLMNA
SCHEMBL16206319 0.84 EGFR (0.43) EGFRKDM4EALDH1A1HPGDLMNA
SCHEMBL18805440 0.84 CYP11B1 (0.39) EGFRDHODHKDM4EALDH1A1HPGD
SCHEMBL19997999 0.84 EGFR (0.38) EGFRDHODHKDM4EALDH1A1HPGD
SCHEMBL19986010 0.84 TOP1 (0.41) EGFRKDM4EALDH1A1HPGDLMNA

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