SCHEMBL6603680

SCHEMBL6603680

Cc1nnc(-c2cc(-c3ccccc3C)ccc2C(=O)O)o1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.55
MAPK14 Q16539 7/20 0.49
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
TSHR P16473 3/20 0.49
HPGD P15428 2/20 0.49
ALDH1A1 P00352 1/20 0.49
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
HSD17B10 Q99714 1/20 0.45
FTO Q9C0B1 1/20 0.43
MYC P01106 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
MAPK11 Q15759 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
DHODH Q02127 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
SCHEMBL5657829 0.84 MAPK14 (0.57) MCL1MAPK14NPC1RAB9ASMN1; SMN2
SCHEMBL11816232 0.81 NPC1 (0.51) NPC1RAB9ASMN1; SMN2TSHRHPGD
SCHEMBL6189876 0.81 MAPK14 (0.48) MAPK14NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL19484711 0.79 CSNK2A1 (0.43) NPC1RAB9AHPGDALDH1A1GAA
SCHEMBL27537578 0.78 MCL1 (0.73) MCL1ALDH1A1HSD17B10FTOMYC
SCHEMBL7832639 0.77 RARB (0.56) MAPK14NPC1RAB9AALDH1A1MAPK11
SCHEMBL11607903 0.77 RAB9A (0.70) MCL1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL4943334 0.77 MCL1 (0.71) MCL1HPGDALDH1A1FTOMYC
SCHEMBL13427116 0.77 RAB9A (0.64) MAPK14NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL4861805 0.77 MAPK14 (0.57) MAPK14HPGDALDH1A1MAPK11GAA

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-1436269-A1 OXADIAZOLYL-BIPHENYLCARBOXAMIDES AND THEIR USE AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-07-14 EP disclosed
WO-2003033482-A1 OXADIAZOLYL-BIPHENYLCARBOXAMIDES AND THEIR USE AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-04-24 WO disclosed