SCHEMBL28856552

SCHEMBL28856552

OB(O)c1ccnc2ccc(Br)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 5/20 0.49
NCF1 P14598 1/20 0.48
GAK O14976 1/20 0.43
EPHB6 O15197 1/20 0.43
RIPK2 O43353 1/20 0.43
STK16 O75716 1/20 0.43
ABL1 P00519 1/20 0.43
ACVR1 Q04771 1/20 0.43
AAK1 Q2M2I8 1/20 0.43
COQ8A Q8NI60 1/20 0.43
NLK Q9UBE8 1/20 0.43
HTT P42858 8/20 0.41
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CCNC P24863 2/20 0.41
CDK8 P49336 2/20 0.41
CHEK1 O14757 1/20 0.41
PIM1 P11309 1/20 0.41
AKT1 P31749 1/20 0.41
FLT3 P36888 1/20 0.41

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
SCHEMBL28856475 0.86 ALK (0.46) SLC22A12NCF1GAKEPHB6RIPK2
SCHEMBL29955009 0.80 PARP1 (0.42) RIPK2HTTLMNAALDH1A1MAPT
SCHEMBL29778053 0.80 NR4A2 (0.58) GAKRIPK2COQ8ANLKLMNA
SCHEMBL18949705 0.79 CDK8 (0.45) SLC22A12GAKRIPK2ACVR1AAK1
SCHEMBL18305649 0.76 LMNA (0.59) SLC22A12NCF1GAKRIPK2COQ8A
SCHEMBL360254 0.76 SLC22A12 (0.51) SLC22A12NCF1GAKEPHB6RIPK2
SCHEMBL741042 0.76 SLC22A12 (0.53) SLC22A12NCF1GAKEPHB6RIPK2
SCHEMBL29896761 0.75 SLC22A12 (0.51) SLC22A12NCF1GAKEPHB6RIPK2
SCHEMBL14690611 0.75 SLC22A12 (0.51) SLC22A12NCF1GAKEPHB6RIPK2
SCHEMBL29843833 0.75 GAK (0.46) SLC22A12GAKRIPK2COQ8ANLK

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-109608432-B Thiophene derivatives as URAT1 inhibitors 江苏艾立康医药科技有限公司 2022-10-11 CN disclosed