SCHEMBL17990701

SCHEMBL17990701

c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-n4c5ccccc5c5c6oc7c8ccccc8ccc7c6ccc54)cc3)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 11/20 0.41
CYP1B1 Q16678 11/20 0.41
CYP1A2 P05177 9/20 0.41
ABCG2 Q9UNQ0 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
PRKDC P78527 2/20 0.41
ABCC1 P33527 2/20 0.41
PDE5A O76074 1/20 0.41
TP53 P04637 1/20 0.41
ABCB1 P08183 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2B6 P20813 1/20 0.41

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
SCHEMBL17990622 0.94 CYP1A1 (0.42) CYP1A1CYP1B1CYP1A2ABCG2KDM4E
SCHEMBL22483478 0.90 KDM4E (0.47) CYP1A1CYP1B1CYP1A2ABCG2KDM4E
SCHEMBL11933014 0.90 L3MBTL1 (0.46) CYP1A2KDM4EALDH1A1TSHRHSD17B10
SCHEMBL17990694 0.90 CYP1A1 (0.39) CYP1A1CYP1B1CYP1A2ABCG2KDM4E
SCHEMBL17990738 0.89 CYP1A1 (0.37) CYP1A1CYP1B1CYP1A2ABCG2KDM4E
SCHEMBL21116955 0.88 L3MBTL1 (0.49) CYP1A2KDM4EALDH1A1TSHRHSD17B10
SCHEMBL17990686 0.88 ABCG2 (0.40) CYP1A1CYP1B1CYP1A2ABCG2KDM4E
SCHEMBL11933015 0.88 CYP1A1 (0.39) CYP1A1CYP1B1KDM4EALDH1A1TSHR
SCHEMBL21116960 0.86 L3MBTL1 (0.46) CYP1A2KDM4EALDH1A1TSHRHSD17B10
SCHEMBL17827283 0.86 MEN1 (0.36) CYP1A2KDM4EALDH1A1TSHRHSD17B10

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-20160225992-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-08-04 US disclosed
US-20160225992-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-08-04 US disclosed