SCHEMBL21032819

SCHEMBL21032819

CCCNC(=O)Nc1cnc2c(c1)CCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
RAB9A P51151 5/20 0.43
NPC1 O15118 4/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
POLB P06746 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
ABCB1 P08183 1/20 0.39
HTT P42858 1/20 0.38
PARP1 P09874 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38

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
SCHEMBL21033204 0.82 ROCK2 (0.52) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL21033191 0.79 NPC1 (0.56) RAB9ANPC1POLBKMT2AMEN1
SCHEMBL21033199 0.79 ROCK2 (0.50) MAPTRAB9ANPC1POLBKMT2A
SCHEMBL21033678 0.78 RAB9A (0.53) RAB9ANPC1POLBKMT2ASMN1; SMN2
SCHEMBL26633385 0.77 ADRA2A (0.44) MAPTRAB9ANPC1POLBKMT2A
SCHEMBL21033196 0.77 NPC1 (0.62) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL5060694 0.76 ADRA2A (0.47) MAPTRAB9ANPC1SMN1; SMN2ADRA2A
SCHEMBL21032816 0.75 RAB9A (0.49) RAB9ANPC1POLBKMT2AMEN1
SCHEMBL21033679 0.74 NPC1 (0.68) MAPTRAB9ANPC1CASP3SENP7
SCHEMBL21032814 0.74 NPC1 (0.68) RAB9ANPC1CASP3SENP7POLB

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
WO-2019104199-A1 SMALL MOLECULE AGONISTS AND ANTAGONISTS OF NR2F6 ACTIVITY REGEN BIOPHARMA INC. (US) 2019-05-31 WO disclosed
WO-2019104201-A1 SMALL MOLECULE AGONISTS AND ANTAGONISTS OF NR2F6 ACTIVITY IN NON-HUMANS Zander Therapeutics, Inc. (US) 2019-05-31 WO disclosed