SCHEMBL9836017

SCHEMBL9836017

COc1ccc(CNC(=O)Nc2ccc(C)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 1.00
NPC1 O15118 7/20 0.79
POLB P06746 1/20 0.77
RAB9A P51151 6/20 0.76
MEN1 O00255 3/20 0.73
KMT2A Q03164 3/20 0.73
HTT P42858 1/20 0.73
L3MBTL1 Q9Y468 2/20 0.72
HDAC1 Q13547 1/20 0.71
HDAC6 Q9UBN7 1/20 0.71
CA12 O43570 1/20 0.70
CA1 P00915 1/20 0.70
CA2 P00918 1/20 0.70
CA9 Q16790 1/20 0.70
TP53 P04637 1/20 0.68
HPGD P15428 1/20 0.68
ROCK2 O75116 1/20 0.64
SAE1 Q9UBE0 1/20 0.63
UBA2 Q9UBT2 1/20 0.63
NAMPT P43490 2/20 0.63

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
SCHEMBL17916794 0.94 SMN1; SMN2 (0.88) SMN1; SMN2NPC1POLBRAB9AMEN1
SCHEMBL23728203 0.88 SMN1; SMN2 (0.79) SMN1; SMN2NPC1POLBRAB9AMEN1
SCHEMBL23747473 0.88 SMN1; SMN2 (0.79) SMN1; SMN2NPC1POLBRAB9AMEN1
SCHEMBL30361459 0.87 SMN1; SMN2 (0.78) SMN1; SMN2NPC1POLBRAB9AMEN1
Hydrochloric Acid SCHEMBL26100400 0.87 SMN1; SMN2 (0.77) SMN1; SMN2NPC1POLBRAB9AMEN1
SCHEMBL23728118 0.87 SMN1; SMN2 (0.77) SMN1; SMN2NPC1POLBRAB9AMEN1
SCHEMBL16562239 0.87 SMN1; SMN2 (0.77) SMN1; SMN2NPC1POLBRAB9AMEN1
SCHEMBL8175404 0.87 RAB9A (0.89) SMN1; SMN2NPC1POLBRAB9AMEN1
SCHEMBL5427744 0.87 NPC1 (1.00) SMN1; SMN2NPC1POLBRAB9AMEN1
SCHEMBL23747428 0.86 SMN1; SMN2 (0.75) SMN1; SMN2NPC1POLBRAB9AMEN1

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
JP-3167166-A None JP disclosed
JP-H03167166-A BENZYLUREA DERIVATIVE AND AGENT FOR REDUCING PHYTOTOXICITY HOKKO CHEM IND CO LTD 1991-07-19 JP disclosed