SCHEMBL17320753

SCHEMBL17320753

c1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc5ccc(-c6cccnc6)cc45)c4ccccc34)cc2)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.49
CYP11B1 P15538 5/20 0.47
CYP11B2 P19099 4/20 0.47
CYP19A1 P11511 3/20 0.47
CYP17A1 P05093 1/20 0.47
GRM5 P41594 1/20 0.42
DHODH Q02127 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
NPC1 O15118 2/20 0.40
TP53 P04637 2/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.40
PIK3CA P42336 1/20 0.39
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 1/20 0.39

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
SCHEMBL17320751 0.91 CYP2A6 (0.49) CYP2A6CYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL17320843 0.89 CYP11B1 (0.55) CYP2A6CYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL24623124 0.88 CYP2A6 (0.48) CYP2A6CYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL17320786 0.88 CYP11B1 (0.46) CYP2A6CYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL17320771 0.88 CYP11B1 (0.49) CYP2A6CYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL16812818 0.88 CYP2A6 (0.48) CYP2A6CYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL19859964 0.87 CYP2A6 (0.58) CYP2A6CYP11B1CYP11B2GRM5DHODH
SCHEMBL16355266 0.86 CYP2A6 (0.46) CYP2A6CYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL10030082 0.85 CYP2A6 (0.59) CYP2A6CYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL17320744 0.84 CYP11B2 (0.64) CYP2A6CYP11B1CYP11B2CYP19A1CYP17A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10347842-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2019-07-09 US disclosed
US-20180138417-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO LTD (KR) 2018-05-17 US disclosed
US-20180138417-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO LTD (KR) 2018-05-17 US disclosed
US-9893289-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2018-02-13 US disclosed
US-9893289-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2018-02-13 US disclosed
US-20150357574-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2015-12-10 US disclosed
US-20150357574-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2015-12-10 US disclosed