SCHEMBL5074252

SCHEMBL5074252

CCOC(=O)c1ccc(NC(=O)N(c2ccccc2)C(F)(F)F)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.59
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
GAA P10253 3/20 0.59
TP53 P04637 1/20 0.59
POLB P06746 1/20 0.59
ALDH1A1 P00352 3/20 0.57
PDK1 Q15118 1/20 0.54
PDK2 Q15119 1/20 0.54
PDK3 Q15120 1/20 0.54
PDK4 Q16654 1/20 0.54
MAPT P10636 5/20 0.53
NAMPT P43490 1/20 0.53
MEN1 O00255 9/20 0.52
KMT2A Q03164 9/20 0.52
CASP3 P42574 1/20 0.52
TRPV1 Q8NER1 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
CA12 O43570 1/20 0.51
CA9 Q16790 1/20 0.51

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
SCHEMBL27728396 0.80 MEN1 (0.51) SMN1; SMN2NPC1RAB9ATP53ALDH1A1
SCHEMBL11139322 0.76 SMN1; SMN2 (0.71) SMN1; SMN2NPC1RAB9AGAATP53
SCHEMBL1019967 0.76 SMN1; SMN2 (0.78) SMN1; SMN2NPC1RAB9AGAAALDH1A1
SCHEMBL9422337 0.75 SMN1; SMN2 (0.73) SMN1; SMN2NPC1RAB9AGAATP53
SCHEMBL20379674 0.75 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9AGAATP53
SCHEMBL4724997 0.74 SMN1; SMN2 (1.00) SMN1; SMN2NPC1RAB9AGAATP53
SCHEMBL1542395 0.74 PDK1 (0.74) SMN1; SMN2NPC1RAB9AGAATP53
SCHEMBL28188463 0.74 ALDH1A1 (0.49) SMN1; SMN2POLBALDH1A1MAPTMEN1
SCHEMBL21784421 0.74 KMT2A (0.61) SMN1; SMN2NPC1RAB9AGAAALDH1A1
SCHEMBL6250057 0.73 HSD17B10 (0.43) SMN1; SMN2NPC1RAB9APOLBALDH1A1

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-1158985-A4 OMEGA-CARBOXY ARYL SUBSTITUTED DIPHENYL UREAS AS p38 KINASE INHIBITORS BAYER PHARMACEUTICALS CORP (US) 2008-03-12 EP disclosed
EP-1158985-A1 OMEGA-CARBOXY ARYL SUBSTITUTED DIPHENYL UREAS AS p38 KINASE INHIBITORS Bayer Corporation (US) 2001-12-05 EP disclosed
WO-2000041698-A1 φ-CARBOXY ARYL SUBSTITUTED DIPHENYL UREAS AS p38 KINASE INHIBITORS BAYER CORPORATION (US) 2000-07-20 WO disclosed