SCHEMBL25870684

SCHEMBL25870684

Cc1ccc2ccccc2c1N(c1ccccc1)c1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)[se]1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.34
MAPT P10636 9/20 0.34
MEN1 O00255 8/20 0.34
ALDH1A1 P00352 6/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 4/20 0.32
CYP1A2 P05177 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
NPC1 O15118 2/20 0.31
POLB P06746 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
THRB P10828 1/20 0.31
HTT P42858 2/20 0.31
TAAR1 Q96RJ0 1/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
MAPK1 P28482 3/20 0.30

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
SCHEMBL25870700 0.89 MAPT (0.34) KMT2AMAPTMEN1ALDH1A1SMN1; SMN2
SCHEMBL18863392 0.85 MAPT (0.33) KMT2AMAPTMEN1ALDH1A1SMN1; SMN2
SCHEMBL18863393 0.84 MAPT (0.40) KMT2AMAPTMEN1ALDH1A1SMN1; SMN2
SCHEMBL25870681 0.84 MAPT (0.33) KMT2AMAPTMEN1ALDH1A1SMN1; SMN2
SCHEMBL25870691 0.81 MAPT (0.35) KMT2AMAPTMEN1ALDH1A1SMN1; SMN2
SCHEMBL25870688 0.81 MAPT (0.36) KMT2AMAPTMEN1ALDH1A1SMN1; SMN2
SCHEMBL25870682 0.80 NOX4 (0.32) KMT2AMAPTMEN1ALDH1A1SMN1; SMN2
SCHEMBL18882627 0.79 MAPT (0.35) KMT2AMAPTMEN1ALDH1A1SMN1; SMN2
SCHEMBL25870735 0.79 LMNA (0.39) KMT2AMAPTMEN1ALDH1A1SMN1; SMN2
SCHEMBL25870710 0.78 MAPT (0.37) KMT2AMAPTMEN1ALDH1A1SMN1; SMN2

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