Sugi Predict

Sugi Predict / Compounds / SCHEMBL3714709

SCHEMBL3714709

SCHEMBL3714709

O=C(N[C@H]1CCCC(F)(F)[C@@H]1NC(=O)OCC1c2ccccc2-c2ccccc21)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.46
▸ EPHX2 P34913 1/20 0.43
▸ TDP1 Q9NUW8 2/20 0.39
▸ CASP3 P42574 2/20 0.37
▸ FABP7 O15540 1/20 0.37
▸ FABP5 Q01469 1/20 0.37
▸ DPP8 Q6V1X1 1/20 0.37
▸ DPP9 Q86TI2 1/20 0.37
▸ OPRD1 P41143 1/20 0.36

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
SCHEMBL3714710 0.95 KMT2A (0.43) KMT2AEPHX2TDP1CASP3FABP7
SCHEMBL21996844 0.92 KMT2A (0.40) KMT2AEPHX2TDP1CASP3
SCHEMBL31072215 0.92 KMT2A (0.40) KMT2AEPHX2TDP1CASP3
SCHEMBL10066114 0.92 KMT2A (0.40) KMT2AEPHX2TDP1CASP3
SCHEMBL21996723 0.88 KMT2A (0.47) KMT2AEPHX2TDP1CASP3FABP7
SCHEMBL10066113 0.88 KMT2A (0.47) KMT2AEPHX2TDP1CASP3FABP7
Hydrochloric Acid SCHEMBL1691807 0.87 KMT2A (0.46) KMT2AEPHX2TDP1CASP3FABP7
SCHEMBL1743475 0.82 MARK3 (0.41) KMT2AEPHX2TDP1CASP3
SCHEMBL14368653 0.79 KMT2A (0.49) KMT2AEPHX2TDP1CASP3FABP7
SCHEMBL1989006 0.79 EPHX1 (0.51) KMT2ACASP3

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