SCHEMBL25870721

SCHEMBL25870721

Cc1ccc(N(c2ccc(Cl)cc2)c2ccc(C=C3C(=O)N(C)C(=S)N(C)C3=O)[se]2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CISD1 Q9NZ45 2/20 0.36
MAOB P27338 1/20 0.36
MAPT P10636 12/20 0.36
KMT2A Q03164 11/20 0.36
MEN1 O00255 10/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
RAB9A P51151 2/20 0.36
NOX4 Q9NPH5 3/20 0.35
NOX1 Q9Y5S8 3/20 0.35
ALDH1A1 P00352 10/20 0.34
HPGD P15428 4/20 0.34
POLB P06746 4/20 0.33
CYP1A2 P05177 3/20 0.33
CYP2C9 P11712 3/20 0.33
CYP2C19 P33261 3/20 0.33
CYP3A4 P08684 2/20 0.33
NPC1 O15118 1/20 0.33
CYP2D6 P10635 1/20 0.33
THRB P10828 1/20 0.33
TDP1 Q9NUW8 3/20 0.32

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
SCHEMBL18863387 0.95 CISD1 (0.39) CISD1MAOBMAPTKMT2AMEN1
SCHEMBL18863386 0.94 MAPT (0.39) MAPTKMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL18863393 0.83 MAPT (0.40) CISD1MAOBMAPTKMT2AMEN1
SCHEMBL28703551 0.79 CISD1 (0.32) CISD1MAOB
SCHEMBL28705801 0.78 NOX4 (0.31) NOX4NOX1
SCHEMBL18882576 0.76 KMT2A (0.44) CISD1MAOBMAPTKMT2AMEN1
SCHEMBL19652004 0.75 MAPT (0.63) MAPTKMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL18863392 0.72 MAPT (0.33) CISD1MAOBMAPTKMT2AMEN1
SCHEMBL18882628 0.70 KMT2A (0.47) CISD1MAOBMAPTKMT2AMEN1
SCHEMBL18882565 0.69 MAPT (0.43) MAPTKMT2AMEN1SMN1; SMN2RAB9A

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-11711930-B2 2023-07-25 US disclosed