SCHEMBL31020173

SCHEMBL31020173

c1ccc(CNc2cccc3cccnc23)nc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.62
KMT2A Q03164 6/20 0.62
MAPT P10636 4/20 0.62
KDM4E B2RXH2 2/20 0.62
ALDH1A1 P00352 2/20 0.62
BLM P54132 2/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
NSD2 O96028 1/20 0.62
CTSB P07858 1/20 0.54
MAOA P21397 2/20 0.53
MAOB P27338 2/20 0.53
HDAC6 Q9UBN7 4/20 0.52
APAF1 O14727 2/20 0.52
HDAC3 O15379 2/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC4 P56524 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52

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
SCHEMBL29823315 0.87 HDAC6 (0.57) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL1877303 0.87 HDAC6 (0.57) MEN1KMT2AMAPTKDM4EALDH1A1
Bromide SCHEMBL4541183 0.86 HDAC6 (0.56) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL29846220 0.82 MAOA (0.68) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL8053546 0.82 HDAC6 (0.64) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL10055011 0.81 HDAC6 (0.72) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL522650 0.79 MEN1 (0.59) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL31020169 0.78 KMT2A (0.69) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL21855430 0.78 KMT2A (0.69) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL6209347 0.78 IGF1R (0.53) MEN1KMT2AMAPTKDM4EALDH1A1

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-118515716-A NNN-pyridine-quinoline cobalt complex, preparation method and catalytic alkyne hydrosilylation reaction 石河子大学 2024-08-20 CN claimed
CN-118515716-A NNN-pyridine-quinoline cobalt complex, preparation method and catalytic alkyne hydrosilylation reaction 石河子大学 2024-08-20 CN disclosed