SCHEMBL31087754

SCHEMBL31087754

Cc1ccc(C2=NN(S(=O)(=O)c3ccc(C)cc3)[C@H](Cc3ccccc3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPT P10636 2/20 0.50
HTT P42858 1/20 0.50
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
MAOA P21397 1/20 0.43
TERT O14746 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
PSMD14 O00487 1/20 0.40
NLRP3 Q96P20 1/20 0.40
CES2 O00748 1/20 0.40
MAOB P27338 1/20 0.40
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL31087745 0.98 KMT2A (0.47) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL31087747 0.95 KMT2A (0.47) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL31087753 0.93 MAPT (0.53) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL31087748 0.91 ALDH1A1 (0.48) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL31087744 0.91 KMT2A (0.46) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL31087749 0.91 LMNA (0.43) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL31087752 0.87 MEN1 (0.44) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL31087750 0.81 KMT2A (0.47) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL31087741 0.78 KMT2A (0.45) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL3832921 0.72 NPSR1 (0.55) MAPTALDH1A1LMNAPOLBCA1

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
CN-118546096-A Chiral tetrahydropyridazine preparation method of class compound 扬州大学 2024-08-27 CN disclosed