SCHEMBL17320758

SCHEMBL17320758

c1ccc(-c2cc(-c3c4ccccc4c(-c4ccc(-c5ccccn5)cc4)c4ccccc34)c3ccccc3c2-c2cccnc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.54
DHODH Q02127 3/20 0.42
PIM1 P11309 2/20 0.42
PIM2 Q9P1W9 2/20 0.42
TSHR P16473 2/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP11B1 P15538 3/20 0.40
KDR P35968 1/20 0.40
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39
CYP19A1 P11511 1/20 0.38
TGFBR1 P36897 1/20 0.38
DCTPP1 Q9H773 1/20 0.38
CYP11B2 P19099 2/20 0.37
GRM5 P41594 1/20 0.37
PIK3CA P42336 1/20 0.37

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
SCHEMBL17320844 0.87 DHODH (0.47) CYP2A6DHODHNPC1TP53RAB9A
SCHEMBL17320780 0.84 NPC1 (0.43) CYP2A6DHODHPIM1PIM2NPC1
SCHEMBL10030094 0.84 CYP2A6 (0.67) CYP2A6DHODHPIM1PIM2TSHR
SCHEMBL22956076 0.84 DHODH (0.46) CYP2A6DHODHPIM1TSHRNPC1
SCHEMBL19859964 0.83 CYP2A6 (0.58) CYP2A6DHODHPIM1PIM2TSHR
SCHEMBL17320745 0.83 CYP2A6 (0.51) CYP2A6DHODHPIM1PIM2TSHR
SCHEMBL22956095 0.82 CYP11B1 (0.49) CYP2A6DHODHPIM1PIM2TSHR
SCHEMBL10030082 0.82 CYP2A6 (0.59) CYP2A6DHODHPIM1PIM2TSHR
SCHEMBL22955773 0.81 CYP11B1 (0.47) CYP2A6DHODHPIM1PIM2NPC1
SCHEMBL9974928 0.81 CYP2A6 (0.71) CYP2A6PIM1PIM2TSHRNPC1

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