SCHEMBL8325360

SCHEMBL8325360

O=C(O)COc1ccc(NC(=O)c2ccc(N3CCNCC3)nc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.52
CLK2 P49760 1/20 0.49
CLK3 P49761 1/20 0.49
DYRK1A Q13627 1/20 0.49
HDAC2 Q92769 6/20 0.48
HDAC3 O15379 4/20 0.48
HPGDS O60760 1/20 0.48
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
HDAC1 Q13547 4/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
P4HTM Q9NXG6 2/20 0.47
TRPV1 Q8NER1 1/20 0.45

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
SCHEMBL8662466 0.84 MAPT (0.61) MEN1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL9409454 0.84 MAPT (0.60) MEN1ALDH1A1KMT2A
SCHEMBL4738294 0.82 HDAC2 (0.67) KCNH2HDAC2HDAC3HPGDSKMT2A
SCHEMBL13553093 0.82 RAB9A (0.65) KCNH2HDAC2HDAC3MEN1ALDH1A1
SCHEMBL2301605 0.79 SMN1; SMN2 (0.55) KCNH2HDAC2HDAC3HPGDSHDAC6
SCHEMBL22192690 0.76 KMT2A (0.72) MEN1ALDH1A1KMT2A
SCHEMBL14651869 0.75 RAB9A (0.63) KCNH2HDAC2HDAC3ALDH1A1KMT2A
SCHEMBL2300742 0.74 KCNH2 (0.54) KCNH2CLK2CLK3DYRK1AHDAC2
SCHEMBL3679282 0.74 P4HTM (0.58) KCNH2HDAC2HDAC3ALDH1A1HDAC1
SCHEMBL401175 0.73 SMO (0.61) KCNH2CLK2CLK3DYRK1AHDAC2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912175-A4 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1999-09-08 EP claimed
EP-0912175-A1 FIBRINOGEN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1999-05-06 EP claimed
WO-1998000134-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1998-01-08 WO claimed
EP-0912175-A4 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1999-09-08 EP disclosed
EP-0912175-A1 FIBRINOGEN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1999-05-06 EP disclosed
US-5854245-A Fibrinogen receptor antagonists MERCK & CO., INC. (US) 1998-12-29 US disclosed
WO-1998000134-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1998-01-08 WO disclosed