SCHEMBL12498159

SCHEMBL12498159

COc1nc2ccccc2nc1Br

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 9/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HRH4 Q9H3N8 1/20 0.46
HDAC6 Q9UBN7 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
POLB P06746 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 1/20 0.42
MAPT P10636 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL7474377 0.84 NQO2 (0.56) NQO2MEN1KMT2AHRH4HDAC6
SCHEMBL804981 0.76 TSHR (0.61) NQO2MEN1KMT2AHRH4HDAC6
SCHEMBL29948882 0.75 MAPT (0.62) NQO2MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL1128076 0.75 MAPT (0.62) NQO2MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL6873559 0.74 NQO2 (0.47) NQO2MEN1KMT2AHRH4HDAC6
SCHEMBL14624137 0.74 NQO2 (0.52) NQO2MEN1KMT2AHRH4HDAC6
SCHEMBL2178510 0.74 TDP1 (0.58) NQO2MEN1KMT2AHRH4HDAC6
SCHEMBL5574299 0.74 NQO2 (0.47) NQO2MEN1KMT2AHRH4HDAC6
SCHEMBL22929108 0.74 NQO2 (0.47) NQO2MEN1KMT2AHRH4HDAC6
SCHEMBL4684319 0.74 KDM4E (0.58) NQO2MEN1KMT2AHRH4HDAC6

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
CN-119119033-A Pyrazolopyridone compounds 百济神州有限公司 2024-12-13 CN disclosed
WO-2012118492-A1 HETEROCYCLIC SULFONAMIDES AS RAF INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-09-07 WO disclosed