SCHEMBL29865534

SCHEMBL29865534

O=c1[nH]c2ccncc2c2c1sc1ccccc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 3/20 0.71
TNKS2 Q9H2K2 3/20 0.71
PARP1 P09874 3/20 0.57
HTT P42858 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
HCRTR1 O43613 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.50
CYP1A2 P05177 1/20 0.50
PPARG P37231 1/20 0.50
NCOA2 Q15596 1/20 0.50
NCOA1 Q15788 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
NCOA3 Q9Y6Q9 1/20 0.50
CHEK1 O14757 1/20 0.48
ACHE P22303 1/20 0.47

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
SCHEMBL23353225 1.00 TNKS (0.71) TNKSTNKS2PARP1HTTNPSR1
SCHEMBL29865532 0.89 TNKS (0.71) TNKSTNKS2PARP1HTTNPSR1
SCHEMBL23353331 0.89 TNKS (0.71) TNKSTNKS2PARP1HTTNPSR1
SCHEMBL19988479 0.83 MEN1 (0.53) TNKSTNKS2PARP1NPSR1MEN1
SCHEMBL23327869 0.77 TNKS (0.61) TNKSTNKS2PARP1HTTNPSR1
SCHEMBL31683845 0.77 TNKS (0.61) TNKSTNKS2PARP1HTTNPSR1
SCHEMBL23353333 0.75 TNKS (0.67) TNKSTNKS2PARP1HTTNPSR1
SCHEMBL1478179 0.74 PARP1 (1.00) TNKSTNKS2PARP1MEN1KMT2A
SCHEMBL30704720 0.74 PARP1 (1.00) TNKSTNKS2PARP1MEN1KMT2A
SCHEMBL24767865 0.73 MEN1 (0.51) TNKSTNKS2PARP1NPSR1MEN1

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-115066427-A Compound, organic electroluminescent device and display device SK株式会社 2022-09-16 CN disclosed