SCHEMBL25870691

SCHEMBL25870691

Cc1ccccc1N(c1ccccc1)c1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)[se]1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.35
MEN1 O00255 8/20 0.35
KMT2A Q03164 8/20 0.35
ALDH1A1 P00352 8/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HPGD P15428 2/20 0.35
RAB9A P51151 3/20 0.35
NOX4 Q9NPH5 3/20 0.34
CYBB P04839 2/20 0.34
HTT P42858 2/20 0.34
TAAR1 Q96RJ0 1/20 0.34
MAPK1 P28482 2/20 0.33
NOX1 Q9Y5S8 1/20 0.33
EP300 Q09472 1/20 0.33
POLB P06746 4/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
NPC1 O15118 2/20 0.32
CYP3A4 P08684 1/20 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
SCHEMBL25870709 0.93 MAPT (0.38) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL18863393 0.90 MAPT (0.40) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL25870681 0.87 MAPT (0.33) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL25870688 0.86 MAPT (0.36) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL18863392 0.86 MAPT (0.33) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL25870735 0.84 LMNA (0.39) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL25870710 0.83 MAPT (0.37) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL25870700 0.83 MAPT (0.34) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL25870702 0.82 MAPT (0.32) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL25870724 0.82 MAPT (0.32) MAPTMEN1KMT2ASMN1; 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