SCHEMBL19092124

SCHEMBL19092124

Brc1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB2 Q9UBS0 8/20 0.64
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
ALDH1A1 P00352 5/20 0.54
KDM4E B2RXH2 5/20 0.54
HPGD P15428 3/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C19 P33261 1/20 0.54
PPARG P37231 2/20 0.52
RXFP1 Q9HBX9 2/20 0.52
PRNP P04156 1/20 0.52
NCOR2 Q9Y618 1/20 0.52
SRPK1 Q96SB4 1/20 0.49
PIK3R1 P27986 1/20 0.49
PIK3CA P42336 1/20 0.49
MAPT P10636 4/20 0.48
LMNA P02545 3/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.45
CASP1 P29466 2/20 0.45

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
SCHEMBL6237894 0.79 RPS6KB2 (0.64) RPS6KB2MEN1KMT2AALDH1A1KDM4E
SCHEMBL6234080 0.79 RPS6KB2 (0.64) RPS6KB2MEN1KMT2AALDH1A1KDM4E
SCHEMBL9613382 0.79 MEN1 (0.67) RPS6KB2MEN1KMT2AALDH1A1KDM4E
SCHEMBL16027135 0.79 RPS6KB2 (0.74) RPS6KB2MEN1KMT2AALDH1A1KDM4E
SCHEMBL31393470 0.79 RPS6KB2 (0.74) RPS6KB2MEN1KMT2AALDH1A1KDM4E
SCHEMBL7692571 0.78 RPS6KB2 (1.00) RPS6KB2MEN1KMT2AALDH1A1KDM4E
SCHEMBL29191420 0.78 KDM4E (0.67) RPS6KB2MEN1KMT2AALDH1A1KDM4E
SCHEMBL6239563 0.78 RPS6KB2 (0.53) RPS6KB2MEN1KMT2AALDH1A1KDM4E
SCHEMBL3847485 0.78 SMN1; SMN2 (0.54) RPS6KB2MEN1KMT2AALDH1A1KDM4E
SCHEMBL19066635 0.77 RPS6KB2 (0.71) RPS6KB2MEN1KMT2AALDH1A1KDM4E

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
WO-2017116356-A1 DNA TARGETED MONO AND HETERODINUCLEAR COMPLEXES ATILIM UNIVERSITESI (TR) 2017-07-06 WO disclosed