SCHEMBL21622828

SCHEMBL21622828

Brc1ccc(Br)c2c1cnc1cccnc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.46
▸ MAPT P10636 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ APAF1 O14727 1/20 0.46
▸ TDP2 O95551 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ CASP3 P42574 1/20 0.46
▸ SENP8 Q96LD8 1/20 0.46
▸ SENP7 Q9BQF6 1/20 0.46
▸ SENP6 Q9GZR1 1/20 0.46
▸ KDM4E B2RXH2 5/20 0.44
▸ HTT P42858 3/20 0.39
▸ HSP90AA1 P07900 3/20 0.39
▸ TP53 P04637 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ SLC40A1 Q9NP59 1/20 0.36
▸ CDK9 P50750 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35

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
SCHEMBL16629749 0.77 KDM4E (0.46) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL28339179 0.76 ADRA2A (0.39) KMT2AMAPTMEN1APAF1TDP2
SCHEMBL31330058 0.73 KDM4E (0.44) KMT2AMAPTMEN1APAF1TDP2
SCHEMBL19988544 0.71 MAPT (0.42) KMT2AMAPTMEN1APAF1TDP2
SCHEMBL3395413 0.70 HSP90AA1 (0.45) KMT2AMAPTMEN1APAF1TDP2
SCHEMBL16629653 0.70 LMNA (0.43) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL196848 0.70 KMT2A (0.68) KMT2AMAPTMEN1APAF1TDP2
SCHEMBL1426892 0.69 KDM4E (0.46) KMT2AMAPTMEN1APAF1TDP2
SCHEMBL30312616 0.68 KMT2A (0.59) KMT2AMAPTMEN1APAF1TDP2
SCHEMBL16798532 0.68 KMT2A (0.59) KMT2AMAPTMEN1APAF1TDP2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3820965-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-01-25 — — EP disclosed
WO-2020011658-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-01-16 — — WO disclosed
Send feedback