SCHEMBL23673554

SCHEMBL23673554

NCc1cc(Br)ccc1OCc1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP28 Q96RU2 1/20 0.67
USP25 Q9UHP3 1/20 0.67
CCR5 P51681 10/20 0.62
SLC6A4 P31645 1/20 0.47
PTGER1 P34995 2/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PTPN7 P35236 1/20 0.42
DUSP3 P51452 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
CYP1A2 P05177 1/20 0.41
GLA P06280 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL23683235 0.88 USP28 (0.74) USP28USP25CCR5SLC6A4PTGER1
SCHEMBL23683250 0.83 USP28 (0.48) USP28USP25CCR5SLC6A4PTPN7
SCHEMBL25810028 0.82 USP28 (0.75) USP28USP25CCR5MEN1KMT2A
SCHEMBL31464215 0.81 USP28 (1.00) USP28USP25CCR5MEN1KMT2A
SCHEMBL29841090 0.81 USP28 (1.00) USP28USP25CCR5MEN1KMT2A
SCHEMBL23683179 0.81 USP28 (1.00) USP28USP25CCR5MEN1KMT2A
SCHEMBL23683172 0.79 USP28 (0.57) USP28USP25CCR5PTGER1
SCHEMBL28602479 0.79 USP28 (0.60) USP28USP25CCR5SLC6A4PTGER1
SCHEMBL30038784 0.79 USP28 (0.60) USP28USP25CCR5SLC6A4PTGER1
SCHEMBL23673334 0.79 USP28 (0.60) USP28USP25CCR5SLC6A4PTGER1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113214097-B Compounds for the treatment of alzheimer's disease 厦门大学 2022-08-30 CN disclosed
WO-2021147971-A1 COMPOUND FOR TREATING ALZHEIMER'S DISEASE 厦门大学 2021-07-29 WO disclosed
WO-2021147971-A1 COMPOUND FOR TREATING ALZHEIMER'S DISEASE 厦门大学 2021-07-29 WO disclosed