SCHEMBL30758474

SCHEMBL30758474

COC(=O)C(C#N)=Cc1ccc(Br)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.51
ALDH1A1 P00352 7/20 0.51
MEN1 O00255 6/20 0.51
LMNA P02545 3/20 0.51
MAPT P10636 7/20 0.46
TDP1 Q9NUW8 3/20 0.46
ADORA2A P29274 1/20 0.46
ADORA2B P29275 1/20 0.46
ADORA1 P30542 1/20 0.46
MAPK1 P28482 1/20 0.46
POLB P06746 2/20 0.44
HPGD P15428 1/20 0.44
PSMD14 O00487 1/20 0.43
KDM4E B2RXH2 5/20 0.42
APP P05067 1/20 0.41
SNCA P37840 1/20 0.41
THRB P10828 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLC16A1 P53985 1/20 0.40

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
SCHEMBL18060198 0.82 KMT2A (0.51) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL18060196 0.82 KMT2A (0.51) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL2863130 0.81 LMNA (0.59) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL2863123 0.81 LMNA (0.59) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL19003277 0.77 KMT2A (0.58) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL19003282 0.76 TP53 (0.50) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL30758559 0.75 ALDH1A1 (0.53) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL11162956 0.75 MAPT (0.65) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL11162960 0.75 MAPT (0.65) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL10413552 0.74 KDM4E (0.59) KMT2AALDH1A1MAPTTDP1ADORA2A

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-117510457-A Organic ligand material and application thereof in organic-inorganic hybrid perovskite 南开大学 2024-02-06 CN disclosed