SCHEMBL28680327

SCHEMBL28680327

CCOc1ccc(Cc2cc(I)ccc2Cl)cc1F

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 9/20 0.50
SLC5A1 P13866 3/20 0.50
KDM1A O60341 2/20 0.37
FFAR1 O14842 1/20 0.36
S1PR1 P21453 1/20 0.35
S1PR5 Q9H228 1/20 0.35
DRD4 P21917 1/20 0.35
KCNQ3 O43525 1/20 0.35
KCNQ2 O43526 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL10041207 0.84 SLC5A2 (0.50) SLC5A2SLC5A1KDM1AFFAR1KCNQ3
SCHEMBL1539332 0.84 SLC5A2 (0.50) SLC5A2SLC5A1KDM1AKMT2ASMN1; SMN2
SCHEMBL29455231 0.79 SLC5A2 (0.53) SLC5A2SLC5A1MEN1KMT2A
SCHEMBL1933786 0.79 SLC5A2 (0.53) SLC5A2SLC5A1MEN1KMT2A
SCHEMBL16601002 0.78 SLC5A2 (0.45) SLC5A2SLC5A1KDM1AFFAR1KCNQ3
SCHEMBL27368211 0.74 APP (0.40) MEN1KMT2A
SCHEMBL15308138 0.74 SLC5A2 (0.47) SLC5A2SLC5A1
SCHEMBL16600928 0.73 SLC5A2 (0.41) SLC5A2SLC5A1KDM1AKCNQ3KCNQ2
SCHEMBL12257514 0.73 SLC5A2 (0.73) SLC5A2SLC5A1
SCHEMBL14954899 0.72 SLC5A2 (0.40) SLC5A2SLC5A1KDM1AMEN1KMT2A

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-113880701-A Antidiabetic drug intermediate and preparation method thereof 浙江司太立制药股份有限公司 2022-01-04 CN claimed
CN-113880701-A Antidiabetic drug intermediate and preparation method thereof 浙江司太立制药股份有限公司 2022-01-04 CN disclosed