SCHEMBL18079822

SCHEMBL18079822

CCN(CC)Cc1cccc2c1-c1ccccc1C21c2ccccc2-c2c(CN(CC)CC)cccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 3/20 0.43
▸ ADORA2A P29274 1/20 0.43
▸ ADORA1 P30542 1/20 0.43
▸ TSHR P16473 2/20 0.39
▸ MAPT P10636 3/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CYP2D6 P10635 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ ICMT O60725 1/20 0.35
▸ MAOB P27338 2/20 0.35
▸ POLB P06746 1/20 0.34

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
SCHEMBL18079825 0.98 ADORA2A (0.42) PDK2ADORA2AADORA1TSHRMAPT
SCHEMBL18907590 0.93 ADORA2A (0.42) PDK2ADORA2AADORA1TSHRMAPT
SCHEMBL17854959 0.91 ADORA2A (0.43) PDK2ADORA2AADORA1TSHRMAPT
SCHEMBL18079829 0.83 ADORA2A (0.42) PDK2ADORA2AADORA1TSHRMAPT
SCHEMBL16544649 0.83 PDK2 (0.42) PDK2TSHRMAPTHSD17B10KDM4E
SCHEMBL16544651 0.82 PDK2 (0.41) PDK2TSHRMAPTHSD17B10KDM4E
SCHEMBL26884444 0.77 ADORA2A (0.38) ADORA2AADORA1TSHRMAPTHSD17B10
SCHEMBL26884428 0.77 ADORA2A (0.38) ADORA2AADORA1TSHRMAPTHSD17B10
SCHEMBL17854966 0.77 PNMT (0.41) PDK2ADORA2AADORA1MAOBBCHE
SCHEMBL16544647 0.77 CYP1A2 (0.38) PDK2TSHRMAPTHSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9896621-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2018-02-20 — — US disclosed
US-20170155050-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-01 — — US disclosed
US-20160260901-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-09-08 — — US disclosed
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