SCHEMBL9780251

SCHEMBL9780251

NC(=O)CCNc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.56
POLB P06746 1/20 0.55
MAPT P10636 3/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
ABL1 P00519 2/20 0.47
BCR P11274 2/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
HPGD P15428 1/20 0.47
TRPV1 Q8NER1 2/20 0.47
GAA P10253 1/20 0.47
KDM4E B2RXH2 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 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
SCHEMBL3021858 0.78 EPHX2 (0.57) EPHX2POLBMAPTKMT2AMEN1
SCHEMBL5389140 0.78 POLB (0.52) EPHX2POLBMAPTKMT2AMEN1
SCHEMBL6289309 0.78 MAPT (0.55) EPHX2POLBMAPTKMT2AMEN1
SCHEMBL13813682 0.78 MAPT (0.51) EPHX2POLBMAPTKMT2AMEN1
SCHEMBL28519915 0.77 EPHX2 (0.65) EPHX2POLBMAPTKMT2AMEN1
SCHEMBL12696684 0.77 EPHX2 (0.51) EPHX2POLBMAPTKMT2AMEN1
Hydrochloric Acid SCHEMBL7471077 0.77 POLB (0.66) EPHX2POLBMAPTKMT2AMEN1
SCHEMBL1797885 0.77 POLB (0.66) EPHX2POLBMAPTKMT2AMEN1
SCHEMBL5723863 0.77 EPHX1 (0.50) EPHX2TRPV1
SCHEMBL169453 0.76 EPHX2 (0.73) EPHX2MAPTKMT2ARAB9AHPGD

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
US-5026717-A Glutamate inhibitors RHONE-POULENC SANTE (FR) 1991-06-25 US disclosed
US-4980356-A ANTICONVULSANTS; ANTISPASMODIC AGENTS; MUSCULAR AND NERVOUS SYSTEMS DISORDERS RHONE-POULENC SANTE (FR) 1990-12-25 US disclosed