SCHEMBL3714710

SCHEMBL3714710

O=C(O)N[C@@H]1[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)CCCC1(F)F

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
EPHX2 P34913 1/20 0.41
CASP3 P42574 2/20 0.38
FABP7 O15540 2/20 0.38
FABP5 Q01469 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
OPRD1 P41143 1/20 0.36
MDM4 O15151 1/20 0.36
TP53 P04637 1/20 0.36
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35

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
SCHEMBL3714709 0.95 KMT2A (0.46) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL21996844 0.87 KMT2A (0.40) KMT2AEPHX2CASP3TDP1
SCHEMBL31072215 0.87 KMT2A (0.40) KMT2AEPHX2CASP3TDP1
SCHEMBL10066114 0.87 KMT2A (0.40) KMT2AEPHX2CASP3TDP1
SCHEMBL10066113 0.85 KMT2A (0.47) KMT2AEPHX2CASP3FABP7FABP5
Hydrochloric Acid SCHEMBL1691807 0.84 KMT2A (0.46) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL21996723 0.83 KMT2A (0.47) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL1743475 0.81 MARK3 (0.41) KMT2AEPHX2CASP3TDP1
SCHEMBL762530 0.78 KMT2A (0.50) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL20042065 0.78 KMT2A (0.50) KMT2AEPHX2CASP3FABP7FABP5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010083145-A1 IMIDAZO[1,2-a]PYRIDINES AND IMIDAZO[1,2-b]PYRIDAZINES AS MARK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-07-22 WO disclosed