SCHEMBL28877950

SCHEMBL28877950

CC(O)Cn1cc2cc(Br)ccc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.43
LMNA P02545 3/20 0.36
HTT P42858 3/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
CSNK2A1 P68400 3/20 0.36
PPARA Q07869 1/20 0.35
NPSR1 Q6W5P4 3/20 0.33
RAB9A P51151 2/20 0.33
GAA P10253 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
BACE1 P56817 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
DNM1 Q05193 2/20 0.32
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL6101289 0.88 HDAC8 (0.40) HDAC8LMNAHTTMAPTSMN1; SMN2
SCHEMBL16931450 0.82 KDM4E (0.38) LMNAHTTMAPTSMN1; SMN2MEN1
SCHEMBL31394878 0.81 HDAC8 (0.40) HDAC8LMNAHTTMAPTSMN1; SMN2
SCHEMBL1637329 0.79 HDAC8 (0.39) HDAC8HTTMAPTSMN1; SMN2NPSR1
SCHEMBL31394603 0.76 HDAC8 (0.38) HDAC8LMNAHTTMAPTSMN1; SMN2
SCHEMBL16569404 0.76 HDAC8 (0.40) HDAC8LMNAHTTMAPTMEN1
SCHEMBL16931118 0.76 MAPT (0.45) LMNAHTTMAPTSMN1; SMN2MEN1
SCHEMBL26983072 0.76 HDAC8 (0.38) HDAC8SMN1; SMN2PPARARAB9ABACE1
SCHEMBL23320737 0.74 HDAC8 (0.47) HDAC8HTTMAPTGAAHDAC6
SCHEMBL146444 0.73 HDAC8 (0.38) HDAC8HTTMAPTRAB9ARXFP1

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
WO-2022206730-A1 PYRIMIDOPYRAZINE COMPOUND AND USE THEREOF 武汉人福创新药物研发中心有限公司 2022-10-06 WO disclosed
CN-115141202-A Pyrimidopyrazinone compounds and uses thereof 武汉人福创新药物研发中心有限公司 2022-10-04 CN disclosed