SCHEMBL28198653

SCHEMBL28198653

CN1CC(Br)=Nc2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 2/20 0.33
NOS1 P29475 1/20 0.33
MAOA P21397 1/20 0.32
GPR3 P46089 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
PTPN2 P17706 1/20 0.30
PTPN1 P18031 1/20 0.30

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
SCHEMBL28221393 0.78 NSD2 (0.38) NSD2NOS1MAOAMEN1KMT2A
SCHEMBL28287776 0.74 LOX (0.33) NSD2NOS1MEN1KMT2A
SCHEMBL28312051 0.74 SHMT2 (0.33) NSD2NOS1KDM4EALDH1A1MAPT
SCHEMBL28258527 0.73 CCR3 (0.32) NSD2NOS1MAPT
SCHEMBL30129012 0.70 SMN1; SMN2 (0.35) MAOAMEN1KMT2AALDH1A1HPGD
SCHEMBL28176278 0.70 MAPT (0.49) MAOAKMT2AKDM4EALDH1A1MAPT
SCHEMBL32691835 0.69 NOS1 (0.37) NOS1MEN1KMT2AALDH1A1
SCHEMBL22443064 0.68 KMT2A (0.46) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL14511092 0.68 NSD2 (0.36) NSD2NOS1MAOAMEN1KMT2A
SCHEMBL19972843 0.67 HTT (0.36) NSD2MEN1KMT2A

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-105555780-B SYK inhibitors 吉利德科学公司 2018-01-23 CN disclosed