SCHEMBL19986203

SCHEMBL19986203

c1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5c6c7ccccc7c7ccccc7c6c6c7ccccc7oc6c54)nc4cccnc34)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 8/20 0.41
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
EGFR P00533 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL19986133 0.98 TOP1 (0.42) TOP1KDM4EALDH1A1HPGDLMNA
SCHEMBL19986134 0.95 TOP1 (0.37) TOP1
SCHEMBL19986136 0.90 EGFR (0.40) KDM4EALDH1A1HPGDLMNAHTT
SCHEMBL19986145 0.88 EGFR (0.42) KDM4EALDH1A1HPGDLMNAHTT
SCHEMBL19986131 0.87 DHODH (0.33) KDM4EALDH1A1HPGD
SCHEMBL19986130 0.85 GABRP (0.32) KDM4EALDH1A1HPGDLMNAHTT
SCHEMBL19986149 0.84 KDM4E (0.37) KDM4EALDH1A1HPGDLMNAHTT
SCHEMBL19998000 0.84 TOP1 (0.46) TOP1KDM4EALDH1A1HPGDLMNA
SCHEMBL19986202 0.84 KDM4E (0.34) KDM4EALDH1A1HPGDLMNAHTT
SCHEMBL19039945 0.83 EGFR (0.42) KDM4EALDH1A1HPGDLMNAHTT

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