SCHEMBL19986166

SCHEMBL19986166

Cc1nc(-c2cccc3sc4ccccc4c23)c2ccccc2n1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.42
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
CYP1A2 P05177 1/20 0.37
GPR3 P46089 2/20 0.36
ALDH1A1 P00352 4/20 0.35
MAPT P10636 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 3/20 0.35
GAA P10253 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ACHE P22303 1/20 0.35
POLB P06746 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
SCHEMBL19986165 0.83 PARP14 (0.43) ADORA2ALMNAHTTGPR3ALDH1A1
SCHEMBL21351355 0.83 ADORA2A (0.59) ADORA2ACYP1A2ALDH1A1MAPTMEN1
SCHEMBL18455536 0.83 KDM4E (0.46) ADORA2ALMNACYP1A2GPR3ALDH1A1
SCHEMBL19502146 0.82 MEN1 (0.48) ADORA2AMEN1KMT2AL3MBTL1TDP1
SCHEMBL24266233 0.82 CYP1A2 (0.54) LMNACYP1A2GPR3ALDH1A1MAPT
SCHEMBL16542822 0.77 ADORA2A (0.50) ADORA2ALMNAHTTGPR3ALDH1A1
SCHEMBL29985983 0.77 ADORA2A (0.50) ADORA2ALMNAHTTGPR3ALDH1A1
SCHEMBL24266234 0.76 CYP1A2 (0.49) ADORA2ALMNACYP1A2GPR3ALDH1A1
SCHEMBL22147058 0.76 L3MBTL1 (0.53) ADORA2ALMNACYP1A2GPR3ALDH1A1
SCHEMBL24266248 0.76 L3MBTL1 (0.48) ADORA2ALMNACYP1A2ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180083202-A1 COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2018-03-22 US disclosed