SCHEMBL8103967

SCHEMBL8103967

Fc1ccc(-c2nc(C3CCCCC3)[nH]c2-c2ccnc(Oc3ccccc3)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.56
MAPK13 O15264 3/20 0.56
RAF1 P04049 3/20 0.56
MAPK9 P45984 3/20 0.56
MAPK12 P53778 3/20 0.56
MAPK11 Q15759 3/20 0.56
CSNK1A1 P48729 1/20 0.44
CSNK1D P48730 1/20 0.44
RPS6KA3 P51812 1/20 0.44
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL7812847 0.99 MAPK14 (0.54) MAPK14MAPK13RAF1MAPK9MAPK12
SCHEMBL8120061 0.95 MAPK14 (0.55) MAPK14MAPK13RAF1MAPK9MAPK12
SCHEMBL4586526 0.91 MAPK14 (0.61) MAPK14MAPK13RAF1MAPK9MAPK12
SCHEMBL4583055 0.90 MAPK14 (0.61) MAPK14MAPK13RAF1MAPK9MAPK12
SCHEMBL4585291 0.90 MAPK14 (0.63) MAPK14MAPK13RAF1MAPK9MAPK12
SCHEMBL4584142 0.88 MAPK14 (0.63) MAPK14MAPK13RAF1MAPK9MAPK12
SCHEMBL4584672 0.86 MAPK14 (0.60) MAPK14MAPK13RAF1MAPK9MAPK12
SCHEMBL8108398 0.86 MAPK14 (0.60) MAPK14MAPK13RAF1MAPK9MAPK12
SCHEMBL8099919 0.86 MAPK14 (0.60) MAPK14MAPK13RAF1MAPK9MAPK12
SCHEMBL8108392 0.85 MAPK14 (0.58) MAPK14MAPK13RAF1MAPK9MAPK12

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-1021173-A1 USE OF CSAID?TM COMPOUNDS FOR THE MANAGEMENT OF UTERINE CONTRACTIONS IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2000-07-26 EP disclosed
WO-1999018942-A1 USE OF CSAIDTM COMPOUNDS FOR THE MANAGEMENT OF UTERINE CONTRACTIONS IMPERIAL COLLEGE INNOVATIONS LTD. (GB) 1999-04-22 WO disclosed