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
SCHEMBL9020772 0.85 KDM4E (0.62) CHEK1PIM1AKT1FLT3PIM3
SCHEMBL22117508 0.85 KDM4E (0.62) HTTSMN1; SMN2LMNAGABRA1GABRG2
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
SCHEMBL11689899 0.73 KDM4E (0.53) HTTSMN1; SMN2LMNAKDM4ECYP1A2
SCHEMBL21461956 0.73 NOS1 (0.47) CHEK1PIM1AKT1FLT3PIM3
SCHEMBL30406008 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
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