SCHEMBL19986145

SCHEMBL19986145

c1ccc(-c2cc(-n3c4ccccc4c4c5c6ccccc6c6ccccc6c5c5c6ccccc6oc5c43)nc3ccccc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.42
KDM4E B2RXH2 6/20 0.42
ALDH1A1 P00352 6/20 0.42
HPGD P15428 4/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 4/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 2/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
USP2 O75604 1/20 0.34
CDC14B O60729 1/20 0.33
CDC14A Q9UNH5 1/20 0.33
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ACACA Q13085 3/20 0.32

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
SCHEMBL19986136 0.98 EGFR (0.40) EGFRKDM4EALDH1A1HPGDLMNA
SCHEMBL19986149 0.94 KDM4E (0.37) EGFRKDM4EALDH1A1HPGDLMNA
SCHEMBL18805448 0.93 EGFR (0.43) EGFRKDM4EALDH1A1HPGDLMNA
SCHEMBL19039945 0.91 EGFR (0.42) EGFRKDM4EALDH1A1HPGDLMNA
SCHEMBL19986128 0.91 KDM4E (0.35) EGFRKDM4EALDH1A1HPGDLMNA
SCHEMBL22011394 0.91 KDM4E (0.40) EGFRKDM4EALDH1A1HPGDLMNA
SCHEMBL19986202 0.90 KDM4E (0.34) EGFRKDM4EALDH1A1HPGDLMNA
SCHEMBL19986133 0.89 TOP1 (0.42) EGFRKDM4EALDH1A1HPGDLMNA
SCHEMBL22011580 0.88 KDM4E (0.39) EGFRKDM4EALDH1A1HPGDLMNA
SCHEMBL19986203 0.88 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