SCHEMBL9220337

SCHEMBL9220337

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

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
NAAA Q02083 2/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
TP53 P04637 4/20 0.47
ALOX15 P16050 3/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 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

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
SCHEMBL9212386 0.93 L3MBTL1 (0.52) L3MBTL1NAAANPC1RAB9ATP53
SCHEMBL9431631 0.93 L3MBTL1 (0.52) L3MBTL1NAAANPC1RAB9ATP53
SCHEMBL9430225 0.92 NPC1 (0.50) L3MBTL1NPC1RAB9ATP53HDAC1
SCHEMBL9216809 0.90 NAAA (0.49) NAAATP53ALOX15HDAC1HDAC2
SCHEMBL9213682 0.89 TP53 (0.50) L3MBTL1NPC1RAB9ATP53TDP1
SCHEMBL9430499 0.89 TP53 (0.50) L3MBTL1NPC1RAB9ATP53TDP1
SCHEMBL9219544 0.89 TP53 (0.50) L3MBTL1NPC1RAB9ATP53TDP1
SCHEMBL9431228 0.89 NPC1 (0.51) L3MBTL1NPC1RAB9ATP53ALDH1A1
SCHEMBL9212117 0.89 TP53 (0.51) L3MBTL1NPC1RAB9ATP53ALDH1A1
SCHEMBL9218047 0.88 TP53 (0.51) L3MBTL1NPC1RAB9ATP53ALOX15

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 3 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
CN-1067886-A New urea derivatives, their preparation method and pharmaceutical composition thereof FUJISAWA PHARMACEUTICAL CO (JP) 1993-01-13 CN 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