SCHEMBL2567935

SCHEMBL2567935

COc1cc(CC(NC(=O)Oc2ccc(Cl)s2)C(=O)Nc2ccc3c(c2)CCN(C)CC3)cc(OC)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.37
LMNA P02545 1/20 0.37
MEN1 O00255 2/20 0.36
ROCK2 O75116 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
POLB P06746 1/20 0.36
TACR2 P21452 1/20 0.35
ALDH1A1 P00352 2/20 0.35
F10 P00742 3/20 0.35
CLK2 P49760 1/20 0.35
CLK3 P49761 1/20 0.35
DYRK1A Q13627 1/20 0.35
CYP2C9 P11712 1/20 0.35
KCNA1 Q09470 1/20 0.35
KCNAB1 Q14722 1/20 0.35
CYP3A4 P08684 1/20 0.34
CASP3 P42574 1/20 0.34
SENP7 Q9BQF6 1/20 0.34

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
SCHEMBL2566181 0.93 MMP1 (0.41) KMT2ALMNANPC1RAB9APOLB
SCHEMBL2566646 0.89 MAPT (0.42) KMT2ALMNAMEN1POLB
SCHEMBL2569439 0.89 CYP2C9 (0.45) KMT2ALMNAMEN1ROCK2ALDH1A1
SCHEMBL2568203 0.88 ITGB1 (0.41) ROCK2
SCHEMBL3029905 0.88 F10 (0.47) KMT2ALMNAF10
SCHEMBL2569290 0.87 F10 (0.45) ROCK2F10
SCHEMBL2568816 0.85 ROCK2 (0.43) KMT2ALMNAMEN1ROCK2NPC1
SCHEMBL3380553 0.85 F10 (0.35) ROCK2NPC1RAB9AF10
SCHEMBL2567203 0.85 F10 (0.42) ROCK2F10
SCHEMBL3382957 0.85 F10 (0.44) ROCK2F10

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-1899330-B9 SUBSTITUTED GLYCINAMIDES HAVING AN ANTITHROMBOTIC AND FACTOR XA-INHIBITING EFFECT BOEHRINGER INGELHEIM INT (DE) 2011-11-09 EP disclosed
EP-1899330-B1 SUBSTITUTED GLYCINAMIDES HAVING AN ANTITHROMBOTIC AND FACTOR XA-INHIBITING EFFECT BOEHRINGER INGELHEIM INT (DE) 2010-11-24 EP disclosed