SCHEMBL28660358

SCHEMBL28660358

Clc1cccnc1NN=Cc1cccc(Br)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTH P32929 2/20 0.44
KMT2A Q03164 6/20 0.42
SMN1; SMN2 Q16637 6/20 0.42
KDM4E B2RXH2 6/20 0.42
HTT P42858 6/20 0.42
MAPT P10636 6/20 0.42
LMNA P02545 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NPC1 O15118 9/20 0.41
RAB9A P51151 8/20 0.41
PKM P14618 6/20 0.41
ATM Q13315 1/20 0.41
GAA P10253 6/20 0.40
MEN1 O00255 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
POLB P06746 4/20 0.37
MAPK1 P28482 1/20 0.37
PAX8 Q06710 1/20 0.36
TDP1 Q9NUW8 3/20 0.36

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
SCHEMBL28668702 0.84 CTH (0.47) CTHKMT2ASMN1; SMN2KDM4EHTT
SCHEMBL28524097 0.80 CTH (0.50) CTHKMT2ASMN1; SMN2KDM4EHTT
SCHEMBL28643368 0.76 RAB9A (0.58) CTHKMT2ASMN1; SMN2KDM4EHTT
SCHEMBL28663162 0.71 CTH (0.45) CTHKMT2ASMN1; SMN2KDM4EHTT
SCHEMBL28648148 0.68 CTH (0.53) CTHKMT2AHTTNPC1RAB9A
SCHEMBL30211824 0.67 ALDH1A1 (0.47) KMT2ASMN1; SMN2KDM4EHTTMAPT
SCHEMBL9735520 0.65 RAB9A (0.58) KMT2ASMN1; SMN2KDM4EHTTMAPT
SCHEMBL2800046 0.64 KDM4E (0.60) KMT2ASMN1; SMN2KDM4EHTTMAPT
SCHEMBL13201844 0.64 KDM4E (0.60) KMT2ASMN1; SMN2KDM4EHTTMAPT
SCHEMBL22342567 0.64 CTH (0.51) CTHKDM4EL3MBTL1NPC1RAB9A

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-109400625-B Fused bicyclic compound and application thereof in medicine 广东东阳光药业有限公司 2021-11-12 CN disclosed