SCHEMBL16405288

SCHEMBL16405288

C[Si](C)(C)c1ccc(-c2cccc(-c3ccccc3)c2)nc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.45
HSD17B2 P37059 2/20 0.45
KMO O15229 2/20 0.41
CYP11B1 P15538 3/20 0.39
CYP11B2 P19099 3/20 0.39
LDHA P00338 1/20 0.39
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
BAZ2B Q9UIF8 1/20 0.37
COMT P21964 1/20 0.37
CYP3A4 P08684 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.36
KDM1A O60341 1/20 0.36
ASIC3 Q9UHC3 1/20 0.35

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
SCHEMBL17426513 0.88 SCN9A (0.42) HSD17B1HSD17B2CYP11B1CYP11B2LDHA
SCHEMBL18540383 0.88 HSD17B1 (0.39) HSD17B1HSD17B2KMOCYP11B1CYP11B2
SCHEMBL29505097 0.87 LDHA (0.48) CYP11B1CYP11B2LDHAIDO1TDO2
SCHEMBL17780846 0.87 LDHA (0.48) CYP11B1CYP11B2LDHAIDO1TDO2
SCHEMBL31754774 0.86 HSD17B1 (0.43) HSD17B1HSD17B2LDHAIDO1TDO2
SCHEMBL13765154 0.86 HSD17B1 (0.43) HSD17B1HSD17B2LDHAIDO1TDO2
SCHEMBL24134487 0.85 HSD17B1 (0.38) HSD17B1HSD17B2CYP11B1CYP11B2LDHA
SCHEMBL18537305 0.84 NPC1 (0.36) CYP11B1CYP11B2LDHAIDO1TDO2
SCHEMBL18540375 0.83 CYP11B1 (0.36) HSD17B1HSD17B2CYP11B1CYP11B2LDHA
SCHEMBL17426511 0.81 IDO1 (0.46) HSD17B1HSD17B2IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9882149-B2 Compound for organic optoelectric device, organic optoelectronic device comprsing same, and display apparatus comprising organic optoelectric device SAMSUNG SDI CO., LTD. (KR) 2018-01-30 US disclosed
US-9882149-B2 Compound for organic optoelectric device, organic optoelectronic device comprsing same, and display apparatus comprising organic optoelectric device SAMSUNG SDI CO., LTD. (KR) 2018-01-30 US disclosed
EP-2871222-B1 COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE, ORGANIC OPTOELECTRIC DEVICE COMPRISING SAME, AND DISPLAY APPARATUS COMPRISING ORGANIC OPTOELECTRIC DEVICE SAMSUNG SDI CO LTD (KR) 2017-04-26 EP disclosed
EP-2871222-A1 COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE, ORGANIC OPTOELECTRIC DEVICE COMPRISING SAME, AND DISPLAY APPARATUS COMPRISING ORGANIC OPTOELECTRIC DEVICE Samsung SDI Co., Ltd. (KR) 2015-05-13 EP disclosed
US-20150090974-A1 COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE, ORGANIC OPTOELECTRIC DEVICE COMPRISING SAME, AND DISPLAY APPARATUS COMPRISING ORGANIC OPTOELECTRIC DEVICE SAMSUNG SDI CO., LTD. (KR) 2015-04-02 US disclosed
US-20150090974-A1 COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE, ORGANIC OPTOELECTRIC DEVICE COMPRISING SAME, AND DISPLAY APPARATUS COMPRISING ORGANIC OPTOELECTRIC DEVICE SAMSUNG SDI CO., LTD. (KR) 2015-04-02 US disclosed
US-20150021585-A1 COMPOSITION FOR ORGANIC LIGHT-EMITTING DIODE, ORGANIC LIGHT-EMITTING LAYER INCLUDING SAME, AND ORGANIC LIGHT-EMITTING DIODE SAMSUNG SDI CO., LTD. (KR) 2015-01-22 US disclosed
US-20150021585-A1 COMPOSITION FOR ORGANIC LIGHT-EMITTING DIODE, ORGANIC LIGHT-EMITTING LAYER INCLUDING SAME, AND ORGANIC LIGHT-EMITTING DIODE SAMSUNG SDI CO., LTD. (KR) 2015-01-22 US disclosed