SCHEMBL9313007

SCHEMBL9313007

COc1cc(C2=NCCc3cc(C)ccc32)cc(OC)c1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 13/20 0.56
ALDH1A1 P00352 2/20 0.51
LMNA P02545 1/20 0.51
MAPK14 Q16539 3/20 0.50
MAPK9 P45984 2/20 0.50
MAPK8 P45983 1/20 0.50
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
MAOA P21397 1/20 0.46
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
CA14 Q9ULX7 2/20 0.45
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 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
SCHEMBL9311736 0.86 MAPK10 (0.61) MAPK10ALDH1A1LMNAMAPK14MAPK9
Hydrochloric Acid SCHEMBL9312979 0.85 MAPK10 (0.60) MAPK10ALDH1A1LMNAMAPK14MAPK9
SCHEMBL9311746 0.81 ALDH1A1 (0.68) MAPK10ALDH1A1LMNAMAPK14MAPK9
Hydrochloric Acid SCHEMBL27320100 0.78 PKM (0.55) MAPK10ALDH1A1LMNAMAPK14MAPK9
SCHEMBL9311574 0.77 MAPK10 (0.61) MAPK10ALDH1A1LMNAMAPK14MAPK9
SCHEMBL4439370 0.77 MAPK10 (0.58) MAPK10ALDH1A1LMNAMAPK14MAPK9
Hydrochloric Acid SCHEMBL9313359 0.76 MAPK10 (0.60) MAPK10ALDH1A1LMNAMAPK14MAPK9
SCHEMBL28931630 0.76 ALDH1A1 (0.79) MAPK10ALDH1A1LMNAMAPK14MAPK9
SCHEMBL30597523 0.76 ALDH1A1 (0.79) MAPK10ALDH1A1LMNAMAPK14MAPK9
SCHEMBL9312347 0.72 MAPK10 (0.63) MAPK10ALDH1A1LMNAMAPK14MAPK9

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
US-RE34630-E Antagonist for platelet activating factor EUROCELTIQUE, S.A. (LU) 1994-06-07 US disclosed
EP-0422328-A2 Substituted isoquinolines and their use Euro-Celtique S.A. (LU) 1991-04-17 EP disclosed
US-4956371-A PLATELET ACTIVATING FACTOR EUROCELTIQUE, S.A. (LU) 1990-09-11 US disclosed