SCHEMBL19986028

SCHEMBL19986028

c1ccc(-c2cc(-n3c4ccccc4c4c5c6ccccc6c6ccccc6c5c5c6ccccc6sc5c43)nc3ccccc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.42
KDM4E B2RXH2 6/20 0.39
ALDH1A1 P00352 5/20 0.39
HPGD P15428 4/20 0.39
LMNA P02545 3/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ACACA Q13085 7/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TP53 P04637 2/20 0.32
HSD17B10 Q99714 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LTB4R Q15722 3/20 0.31
TSHR P16473 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
SCHEMBL19986005 0.98 EGFR (0.40) EGFRKDM4EALDH1A1HPGDLMNA
SCHEMBL16206319 0.94 EGFR (0.43) EGFRKDM4EALDH1A1HPGDLMNA
SCHEMBL19986050 0.94 EGFR (0.37) EGFRKDM4EALDH1A1HPGDLMNA
SCHEMBL16206310 0.93 EGFR (0.41) EGFRKDM4EALDH1A1HPGDLMNA
SCHEMBL19986043 0.91 EGFR (0.35) EGFRKDM4EALDH1A1HPGDLMNA
SCHEMBL19986015 0.90 EGFR (0.34) EGFRKDM4EALDH1A1HPGDLMNA
SCHEMBL19985982 0.89 TOP1 (0.42) EGFRKDM4EALDH1A1HPGDLMNA
SCHEMBL16867162 0.89 EGFR (0.43) EGFRKDM4EALDH1A1HPGDLMNA
SCHEMBL19986010 0.88 TOP1 (0.41) EGFRKDM4EALDH1A1HPGDLMNA
SCHEMBL19986045 0.87 KMT2A (0.31)

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