SCHEMBL25028085

SCHEMBL25028085

Cc1ccc(Sc2ccc3c(c2)Sc2cc(Sc4ccc(C)cc4)ccc2N3C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 6/20 0.42
KMT2A Q03164 2/20 0.42
HTR2C P28335 2/20 0.42
MEN1 O00255 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
CHRM3 P20309 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
DRD3 P35462 1/20 0.42
HTR2B P41595 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAOA P21397 1/20 0.41
SNCA P37840 4/20 0.40
BCL2 P10415 1/20 0.37
MCL1 Q07820 1/20 0.37
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 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
SCHEMBL29392464 0.79 MAOA (0.52) NOX1KMT2AHTR2CMEN1ADRA2A
SCHEMBL627550 0.79 MAOA (0.52) NOX1KMT2AHTR2CMEN1ADRA2A
SCHEMBL25028086 0.78 CYP1A2 (0.37) HTR2CADRA2AADRA2BADRA2CCHRM3
SCHEMBL2756770 0.73 NOX1 (0.50) NOX1KMT2AHTR2CMEN1ADRA2A
SCHEMBL628765 0.71 MAOA (0.70) NOX1KMT2AHTR2CMEN1ADRA2A
SCHEMBL19649400 0.71 NOX1 (0.49) NOX1KMT2AHTR2CMEN1ADRA2A
SCHEMBL83853 0.69 ACHE (0.57) KMT2AMEN1L3MBTL1BCL2MCL1
SCHEMBL12245875 0.69 ACHE (0.57) KMT2AMEN1L3MBTL1BCL2MCL1
SCHEMBL11121834 0.69 ACHE (0.57) KMT2AMEN1L3MBTL1BCL2MCL1
SCHEMBL14140472 0.68 NOX1 (0.55) NOX1KMT2AHTR2CMEN1SLC6A2

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-20230050869-A1 THERMOELECTRIC CONVERSION MATERIAL, AND THERMOELECTRIC CONVERSION ELEMENT PREPARED THEREWITH TOYO INK SC HOLDINGS CO., LTD. (JP) 2023-02-16 US disclosed