SCHEMBL9216809

SCHEMBL9216809

CCCCCCCNC(=O)c1oc2ccc(-c3ccccc3)cc2c1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.49
ALOX15 P16050 4/20 0.48
DRD2 P14416 2/20 0.46
DRD4 P21917 2/20 0.46
DRD3 P35462 2/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
TP53 P04637 3/20 0.43
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
GSK3B P49841 1/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
ASAH1 Q13510 2/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL9220337 0.90 L3MBTL1 (0.49) NAAAALOX15HDAC1HDAC2TP53
SCHEMBL9218736 0.89 NAAA (0.47) NAAAALOX15HDAC1HDAC2TP53
SCHEMBL9212465 0.89 HDAC1 (0.54) NAAAALOX15HDAC1HDAC2TP53
SCHEMBL9217575 0.87 NAAA (0.45) NAAAALOX15HDAC1HDAC2CDK1
SCHEMBL9431631 0.85 L3MBTL1 (0.52) NAAAHDAC1HDAC2TP53HPGD
SCHEMBL9212386 0.85 L3MBTL1 (0.52) NAAAHDAC1HDAC2TP53HPGD
SCHEMBL9430225 0.84 NPC1 (0.50) HDAC1HDAC2TP53HPGD
SCHEMBL9216012 0.83 TP53 (0.55) NAAAHDAC1HDAC2TP53
SCHEMBL9219835 0.82 TP53 (0.53) NAAAHDAC1HDAC2TP53HPGD
SCHEMBL9219544 0.82 TP53 (0.50) TP53

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
EP-0512570-B1 Urea derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1995-10-11 EP disclosed
EP-0512570-A1 Urea derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-11-11 EP disclosed