SCHEMBL28048087

SCHEMBL28048087

Brc1ccc2c(cnc3ccc(Br)cc32)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.44
PIM1 P11309 1/20 0.44
AKT1 P31749 1/20 0.44
FLT3 P36888 1/20 0.44
PIM3 Q86V86 1/20 0.44
BACE1 P56817 1/20 0.41
HTT P42858 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.41
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRA6 Q16445 1/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GPR3 P46089 1/20 0.41
ALDH1A1 P00352 2/20 0.40

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
SCHEMBL28778104 0.86 PTGES (0.45) BACE1HTTKDM4EGPR3PABPC1
SCHEMBL22117508 0.85 KDM4E (0.62) HTTSMN1; SMN2LMNAGABRA1GABRG2
SCHEMBL9020772 0.85 KDM4E (0.62) CHEK1PIM1AKT1FLT3PIM3
SCHEMBL20528292 0.74 BACE1 (0.47) CHEK1PIM1AKT1FLT3PIM3
SCHEMBL22117521 0.73 MEN1 (0.55) FLT3HTTSMN1; SMN2LMNAGABRA1
SCHEMBL22117514 0.73 KDM4E (0.62) HTTKDM4EGPR3CYP1A2CYP2C19
SCHEMBL22117519 0.73 KDM4E (0.62) HTTSMN1; SMN2GABRA1GABRG2GABRB3
SCHEMBL21461956 0.73 NOS1 (0.47) CHEK1PIM1AKT1FLT3PIM3
SCHEMBL11689899 0.73 KDM4E (0.53) HTTSMN1; SMN2LMNAKDM4ECYP1A2
SCHEMBL28988476 0.72 ALDH1A1 (0.46) BACE1HTTLMNAKDM4EGPR3

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-105176490-B A kind of Wood Adhesive composition 曹华 2017-08-25 CN disclosed
CN-105176490-A Adhesive composition for wood CAO HUA 2015-12-23 CN disclosed