SCHEMBL17399090

SCHEMBL17399090

CN1c2ccccc2SC1c1ccccc1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MYLK Q15746 2/20 0.38
▸ SLC6A2 P23975 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ MAOA P21397 1/20 0.36
▸ GPR3 P46089 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35
▸ HDAC5 Q9UQL6 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ HPGD P15428 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ KMT2A Q03164 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33

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
SCHEMBL19061114 0.83 KDM4E (0.37) MAOAALDH1A1HPGDKDM4ENPC1
SCHEMBL11886360 0.81 MAOA (0.37) SLC6A2SLC6A4SLC6A3MAOAGPR3
SCHEMBL28409888 0.80 MYLK (0.35) MYLKSLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL28890315 0.80 ALDH1A1 (0.38) MYLKSLC6A2SLC6A4SLC6A3MAOA
SCHEMBL27645758 0.78 BCHE (0.39) MYLKHDAC4HDAC7HDAC5ALDH1A1
SCHEMBL10994406 0.78 MYLK (0.43) MYLKALDH1A1HPGDKDM4ENPC1
SCHEMBL25953955 0.76 RAB9A (0.38) MAOAGPR3ALDH1A1HPGDKDM4E
SCHEMBL12193903 0.75 MAOA (0.41) MAOAALDH1A1HPGDKDM4ENPC1
SCHEMBL30986852 0.75 MAOA (0.41) MAOAALDH1A1HPGDKDM4ENPC1
SCHEMBL27272706 0.75 MYLK (0.36) MYLKSLC6A2SLC6A4SLC6A3HDAC4

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
EP-3214153-B1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO LTD (KR) 2020-03-25 — — EP disclosed
EP-3214153-A1 ORGANIC LIGHT-EMITTING DEVICE Samsung Display Co., Ltd. (KR) 2017-09-06 — — EP disclosed
US-9231216-B2 Carborane compound, organic light-emitting diode including the same and flat display device including organic light-emitting diode SAMSUNG DISPLAY CO., LTD. (KR) 2016-01-05 — — US disclosed
Send feedback