SCHEMBL28856475

SCHEMBL28856475

OB(O)c1ccnc2cc(Br)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.46
GAK O14976 3/20 0.43
SLC22A12 Q96S37 4/20 0.42
HTT P42858 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
NCF1 P14598 1/20 0.38
PLAU P00749 2/20 0.37
HRH4 Q9H3N8 1/20 0.36
MPO P05164 1/20 0.36
EGFR P00533 2/20 0.35
PREP P48147 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PLG P00747 1/20 0.34
PLAT P00750 1/20 0.34
EPHB6 O15197 1/20 0.34
RIPK2 O43353 1/20 0.34
STK16 O75716 1/20 0.34

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
SCHEMBL28856552 0.86 SLC22A12 (0.49) ALKGAKSLC22A12HTTCYP1A2
SCHEMBL29951591 0.80 TLR8 (0.49) KDM4EALDH1A1SMN1; SMN2RIPK2
SCHEMBL29957635 0.79 NR4A2 (0.56) CYP1A2NCF1KDM4EALDH1A1SMN1; SMN2
SCHEMBL29778037 0.79 FERMT2 (0.45) GAKMPOACVR1AAK1
SCHEMBL29952206 0.76 HTR1A (0.55) GAKCYP1A2NCF1KDM4ERIPK2
SCHEMBL1490718 0.76 ALK (0.50) ALKGAKSLC22A12HTTCYP1A2
SCHEMBL30390607 0.76 ALK (0.50) ALKGAKSLC22A12HTTCYP1A2
SCHEMBL1496382 0.76 ALK (0.50) ALKGAKSLC22A12HTTCYP1A2
SCHEMBL29896720 0.75 ALK (0.53) ALKGAKSLC22A12HTTCYP1A2
SCHEMBL4470963 0.75 ALK (0.53) ALKGAKSLC22A12HTTCYP1A2

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