SCHEMBL28680322

SCHEMBL28680322

CSc1ccc(COC(N)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
SLC6A4 P31645 5/20 0.46
MAOA P21397 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
NOS3 P29474 2/20 0.41
NOS1 P29475 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ATM Q13315 1/20 0.41
HAO1 Q9UJM8 1/20 0.40
PLK1 P53350 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL30437401 0.85 KMT2A (0.50) SMN1; SMN2SLC6A2SLC6A3ALDH1A1MEN1
SCHEMBL10172754 0.85 ALDH1A1 (0.60) KDM4ESMN1; SMN2NPC1MAPTHTT
SCHEMBL11839840 0.85 RAB9A (0.46) KDM4ESMN1; SMN2NPC1MAPTHTT
Hydrochloric Acid SCHEMBL11839850 0.83 RAB9A (0.45) KDM4ESMN1; SMN2NPC1MAPTHTT
SCHEMBL18415701 0.81 ALDH1A1 (0.44) KDM4ESMN1; SMN2NPC1MAPTHTT
SCHEMBL13429420 0.81 ALDH1A1 (0.40) SMN1; SMN2SLC6A2SLC6A3ALDH1A1MEN1
SCHEMBL13544220 0.80 EPHX2 (0.43) KDM4ESMN1; SMN2NPC1MAPTHTT
SCHEMBL13373425 0.80 ALDH1A1 (0.46) KDM4ESMN1; SMN2NPC1MAPTHTT
SCHEMBL2297635 0.80 PARP10 (0.54) KDM4ENPC1MAPTRAB9AALDH1A1
SCHEMBL143772 0.79 MEN1 (0.61) KDM4ESLC6A2ALDH1A1MEN1KMT2A

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-113710660-A DOT1L degradation agent and application thereof 达纳-法伯癌症研究公司 2021-11-26 CN disclosed
CN-103282073-A Urinary device VYSERA BIOMEDICAL LTD 2013-09-04 CN disclosed