SCHEMBL15470435

SCHEMBL15470435

Clc1ccc(-c2ccc3c(c2)Sc2ccccc2N3c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 6/20 0.41
ACHE P22303 3/20 0.41
HDAC6 Q9UBN7 1/20 0.40
CYP1A2 P05177 1/20 0.40
MEN1 O00255 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
CHRM3 P20309 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.38
DRD3 P35462 1/20 0.38
HTR2B P41595 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NOX1 Q9Y5S8 1/20 0.38
SNCA P37840 1/20 0.38
ITGB2 P05107 1/20 0.37
ICAM1 P05362 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
SCHEMBL10331700 0.91 HDAC6 (0.46) BCHEACHEHDAC6MEN1ADRA2A
SCHEMBL13832958 0.88 BCHE (0.51) BCHEACHEHDAC6CYP1A2ADRA2A
SCHEMBL19785013 0.85 BCHE (0.42) BCHEHDAC6CYP1A2MEN1ADRA2A
SCHEMBL21578524 0.85 FAAH (0.44) BCHEACHEHDAC6MEN1ADRA2A
SCHEMBL17109679 0.84 MAOA (0.58) HDAC6MEN1ADRA2AADRA2BADRA2C
SCHEMBL17109671 0.84 MAOA (0.58) HDAC6MEN1ADRA2AADRA2BADRA2C
SCHEMBL15470026 0.83 HDAC6 (0.39) BCHEACHEHDAC6CYP1A2MEN1
SCHEMBL15470022 0.83 HDAC6 (0.39) BCHEACHEHDAC6CYP1A2MEN1
SCHEMBL15469966 0.83 HDAC6 (0.39) BCHEACHEHDAC6CYP1A2MEN1
SCHEMBL13827548 0.82 FAAH (0.44) BCHEHDAC6MEN1ADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140042412-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME AND DISPLAY DEVICE INCLUDING THE ORGANIC LIGHT-EMITTING DIODE CHEIL INDUSTRIES, INC. (KR) 2014-02-13 US disclosed
US-20140042412-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME AND DISPLAY DEVICE INCLUDING THE ORGANIC LIGHT-EMITTING DIODE CHEIL INDUSTRIES, INC. (KR) 2014-02-13 US disclosed