SCHEMBL872291

SCHEMBL872291

CN(C)[C@H]1C[C@@H](C(=O)Nc2ccc(/C=C/c3ccc(NC(=O)[C@@H]4CCCN4C(=O)[C@H]4CCCO4)cc3)cc2)N(C(=O)[C@H]2CCCO2)C1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.41
HPGD P15428 6/20 0.41
POLB P06746 4/20 0.41
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL845344 0.95 MEN1 (0.44) HPGDPOLBALDH1A1MEN1KMT2A
SCHEMBL845500 0.88 HPGD (0.51) F2HPGDPOLBALDH1A1MEN1
SCHEMBL845495 0.88 HPGD (0.51) F2HPGDPOLBALDH1A1MEN1
SCHEMBL845457 0.86 HPGD (0.55) F2HPGDPOLBALDH1A1MEN1
SCHEMBL845120 0.84 HPGD (0.47) F2HPGDPOLBALDH1A1MEN1
SCHEMBL872441 0.84 HPGD (0.38) HPGDPOLBALDH1A1MEN1KMT2A
SCHEMBL845476 0.83 HPGD (0.46) F2HPGDPOLBALDH1A1MEN1
SCHEMBL845129 0.80 F2 (0.45) F2HPGDPOLBALDH1A1MEN1
SCHEMBL10119592 0.79 F2 (0.43) F2HPGDPOLBALDH1A1MEN1
SCHEMBL17474773 0.79 HPGD (0.54) F2HPGDPOLBALDH1A1MEN1

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-8143288-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 US disclosed
EP-1893573-B1 INHIBITORS OF HCV REPLICATION BRISTOL MYERS SQUIBB CO (US) 2010-07-21 EP disclosed