SCHEMBL21808038

SCHEMBL21808038

CCCn1cc(-c2nnco2)nn1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ NOTUM Q6P988 6/20 0.35
▸ RAB9A P51151 3/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ TSHR P16473 3/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ TP53 P04637 2/20 0.33
▸ ATM Q13315 1/20 0.33
▸ MAPK1 P28482 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
SCHEMBL21807976 0.74 NPC1 (0.33) RAB9ANPC1ATM
SCHEMBL21807974 0.73 KDM5C (0.33) KDM4EL3MBTL1
SCHEMBL21808031 0.73 HDAC8 (0.34) L3MBTL1
SCHEMBL12022152 0.68 CYP19A1 (0.62) RAB9AMEN1KMT2AL3MBTL1NPC1
SCHEMBL21808097 0.68 SPHK2 (0.33) KDM4EL3MBTL1
SCHEMBL21807936 0.68 ACACB (0.39) MAPTALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL21524622 0.67 — —
Bromide SCHEMBL1883296 0.67 CYP19A1 (0.60) RAB9AMEN1KMT2AL3MBTL1NPC1
SCHEMBL19723347 0.66 ALOX5 (0.60) LMNARAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL17697510 0.66 CYP19A1 (0.58) RAB9AMEN1KMT2AL3MBTL1NPC1

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
WO-2020060963-A1 1, 3, 4-OXADIAZOLE DERIVATIVES AND USES THEREOF ALXERION BIOTECH CORP. (US) 2020-03-26 — — WO disclosed
Send feedback