SCHEMBL9219618

SCHEMBL9219618

Cc1cc(C)c2oc(C(=O)O)c(-c3ccc(Cl)cc3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.45
MCL1 Q07820 4/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CSNK2A2 P19784 8/20 0.42
CSNK2B P67870 8/20 0.42
CSNK2A1 P68400 8/20 0.42
TP53 P04637 3/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.38
AURKA O14965 1/20 0.37
TPX2 Q9ULW0 1/20 0.37

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
SCHEMBL9219495 0.82 MCL1 (0.60) DHODHMCL1NPC1RAB9ATP53
SCHEMBL9210201 0.80 MCL1 (0.57) DHODHMCL1NPC1RAB9ACSNK2A2
SCHEMBL8197213 0.79 MCL1 (0.43) MCL1RAB9ACSNK2A2CSNK2BCSNK2A1
SCHEMBL9212636 0.78 TP53 (0.49) NPC1RAB9ATP53
SCHEMBL9220313 0.77 MCL1 (0.57) DHODHMCL1NPC1RAB9ACSNK2A2
SCHEMBL9219621 0.76 CSNK2A2 (0.46) DHODHMCL1NPC1RAB9ACSNK2A2
SCHEMBL9220492 0.74 MCL1 (0.65) DHODHMCL1NPC1RAB9ACSNK2A2
SCHEMBL9219841 0.73 MCL1 (0.63) MCL1
SCHEMBL27935154 0.72 MCL1 (0.45) MCL1CSNK2A2CSNK2BCSNK2A1MAPT
SCHEMBL4710225 0.72 TP53 (0.51) DHODHMCL1TP53MAPTGAA

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