SCHEMBL31318508

SCHEMBL31318508

O=C(c1cc(Br)c(O)c(Br)c1)N1CC2(CC2)Oc2ccc(C(F)(F)F)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 2/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
SLC22A8 Q8TCC7 1/20 0.40
EPHX2 P34913 2/20 0.36
EPHX1 P07099 1/20 0.36
CYP2C9 P11712 1/20 0.36
SRC P12931 1/20 0.34
PRKACA P17612 1/20 0.34
PRKACG P22612 1/20 0.34
PRKACB P22694 1/20 0.34
TRPM8 Q7Z2W7 3/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
SIRT1 Q96EB6 1/20 0.32
CNR2 P34972 1/20 0.31
USP2 O75604 1/20 0.31
CYP3A4 P08684 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL31318507 0.88 TUBB4A (0.37) EPHX2EPHX1CYP2C9TRPM8LMNA
SCHEMBL31318547 0.87 SLC22A12 (0.39) SLC22A12EPHX2EPHX1CYP2C9TRPM8
SCHEMBL31318523 0.82 SLC22A12 (0.44) SLC22A12SLC22A6SLC22A8CYP2C9MEN1
SCHEMBL31318536 0.80 CYP3A4 (0.37) EPHX2EPHX1CYP2C9MEN1LMNA
SCHEMBL31318543 0.78 SLC22A12 (0.65) SLC22A12SLC22A6SLC22A8MEN1KMT2A
SCHEMBL31318512 0.74 SLC22A12 (0.44) SLC22A12SLC22A6SLC22A8MEN1MAPT
SCHEMBL31318521 0.73 SLC22A12 (0.50) SLC22A12SLC22A6SLC22A8CYP2C9MEN1
SCHEMBL31318529 0.72 SLC22A12 (0.57) SLC22A12SLC22A6SLC22A8CYP2C9
SCHEMBL31318496 0.71 NR3C2 (0.40) SLC22A12MEN1LMNAMAPTKMT2A
SCHEMBL31318516 0.71 SLC22A12 (0.43) SLC22A12EPHX2EPHX1CYP2C9LMNA

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-119059989-A URAT1 inhibitor, preparation method and application thereof 中国药科大学 2024-12-03 CN disclosed