SCHEMBL9312666

SCHEMBL9312666

COc1ccc(C2=NCCc3cc(OCc4ccccc4)ccc32)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53
ALDH1A1 P00352 2/20 0.53
LMNA P02545 2/20 0.53
KDM4E B2RXH2 2/20 0.53
MAPK10 P53779 6/20 0.51
GLA P06280 1/20 0.50
RCE1 Q9Y256 1/20 0.50
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA7 P43166 3/20 0.47
CA9 Q16790 3/20 0.47
CA14 Q9ULX7 3/20 0.47
MAPK8 P45983 1/20 0.47
MAPK9 P45984 1/20 0.47
MAPK14 Q16539 1/20 0.47
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46

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
SCHEMBL6722898 0.87 CA1 (0.60) MAPTMAPK1ALDH1A1LMNAKDM4E
Hydrochloric Acid SCHEMBL6716745 0.86 CA1 (0.58) MAPTMAPK1ALDH1A1LMNAKDM4E
SCHEMBL10967087 0.85 KDM4E (0.74) MAPTMAPK1ALDH1A1LMNAKDM4E
SCHEMBL9848138 0.82 ALDH1A1 (0.54) ALDH1A1LMNAKDM4EMAPK10CA1
SCHEMBL5353435 0.79 MAPK10 (0.60) MAPTALDH1A1LMNAMAPK10CA1
SCHEMBL7989235 0.79 ACHE (0.48) MAPTMAPK1ALDH1A1LMNAKDM4E
SCHEMBL11715443 0.79 MAPK10 (0.65) ALDH1A1LMNAKDM4EMAPK10GLA
SCHEMBL11719015 0.79 MAPK10 (0.65) ALDH1A1LMNAKDM4EMAPK10GLA
SCHEMBL9312347 0.78 MAPK10 (0.63) MAPTALDH1A1LMNAMAPK10CA1
Hydrochloric Acid SCHEMBL11713492 0.78 MAPK10 (0.63) MAPTALDH1A1LMNAKDM4EMAPK10

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