SCHEMBL30556293

SCHEMBL30556293

Cn1c(-c2nc(Cl)ncc2Cl)cc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
KDM4E B2RXH2 3/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
RECQL P46063 1/20 0.44
ADRA2A P08913 1/20 0.43
KDM5B Q9UGL1 1/20 0.41
RPS6KA5 O75582 2/20 0.39
RPS6KA4 O75676 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
CYP11B2 P19099 1/20 0.38
APP P05067 3/20 0.38
CCNC P24863 1/20 0.38

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
SCHEMBL17339186 0.87 KMT2A (0.47) KMT2AKDM4EMAPTMEN1ALDH1A1
SCHEMBL17339063 0.86 KMT2A (0.46) KMT2AKDM4EMAPTMEN1ALDH1A1
SCHEMBL28211031 0.82 KMT2A (0.43) KMT2AKDM4EMAPTMEN1ALDH1A1
SCHEMBL30671841 0.77 CYP19A1 (0.43) KMT2AMAPTALDH1A1RAB9AL3MBTL1
SCHEMBL30886775 0.75 CA12 (0.51) KMT2AMAPTMEN1ALDH1A1HPGD
SCHEMBL16655014 0.75 CA12 (0.51) KMT2AMAPTMEN1ALDH1A1HPGD
SCHEMBL17339081 0.75 KMT2A (0.50) KMT2AKDM4EMAPTMEN1ALDH1A1
SCHEMBL29533984 0.75 KMT2A (0.50) KMT2AKDM4EMAPTMEN1ALDH1A1
SCHEMBL30556278 0.74 NOD2 (0.38) KMT2AMEN1RECQLRPS6KA5RPS6KA4
SCHEMBL29520629 0.73 MEN1 (0.56) KMT2AKDM4EMAPTMEN1ALDH1A1

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-113166110-B 2-aminopyrimidine compound and application thereof 暨南大学 2023-08-11 CN disclosed