SCHEMBL31318520

SCHEMBL31318520

COc1c(Cl)cc(C(=O)N2CC3(CC3)Oc3ncccc32)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
TP53 P04637 3/20 0.35
LMNA P02545 1/20 0.35
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
GPBAR1 Q8TDU6 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
AVPR2 P30518 1/20 0.33
AVPR1A P37288 1/20 0.33

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
SCHEMBL31318550 0.90 ALDH1A1 (0.38) MEN1KMT2AMAPTSLC22A12LMNA
SCHEMBL31318570 0.88 PDE4B (0.39) MAPTTP53LMNACDK5CDK5R1
SCHEMBL31318545 0.88 TUBB4A (0.39) MAPTSLC22A12TP53LMNACDK5
SCHEMBL31318542 0.87 SLC22A12 (0.44) SLC22A12TP53CYP2C9
SCHEMBL31318517 0.83 SIRT3 (0.41) MEN1KMT2ASLC22A12TAS1R3TAS1R1
SCHEMBL31318492 0.80 MEN1 (0.40) MEN1KMT2AMAPTSLC22A12LMNA
SCHEMBL31318501 0.80 SLC22A12 (0.41) MEN1RAB9AKMT2ASLC22A12TAS1R3
SCHEMBL31318512 0.79 SLC22A12 (0.44) MEN1KMT2AMAPTSLC22A12TP53
SCHEMBL31318524 0.79 SLC22A12 (0.38) SLC22A12GPBAR1ALDH1A1CYP3A4CYP2C9
SCHEMBL31318491 0.76 TUBB4A (0.43) MEN1RAB9AKMT2AMAPTSLC22A12

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