SCHEMBL10141002

SCHEMBL10141002

C=C(N[C@@H](C(=O)CC)c1ccccc1)N(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
CYP1A2 P05177 2/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GPR88 Q9GZN0 1/20 0.38
TSHR P16473 3/20 0.37
CYP3A4 P08684 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HPGD P15428 2/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RIPK1 Q13546 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
SCHEMBL10150894 0.86 ALDH1A1 (0.41) ALDH1A1CYP1A2LMNAPOLBMEN1
SCHEMBL12824365 0.84 HPGD (0.42) ALDH1A1CYP1A2LMNAPOLBMEN1
SCHEMBL12463084 0.84 HPGD (0.42) ALDH1A1LMNAPOLBKMT2AHPGD
SCHEMBL12463081 0.81 ALDH1A1 (0.40) ALDH1A1CYP1A2LMNAPOLBMEN1
SCHEMBL12281296 0.81 ALDH1A1 (0.39) ALDH1A1LMNAMEN1KMT2AGPR88
SCHEMBL5743537 0.80 LMNA (0.51) ALDH1A1CYP1A2LMNAPOLBMEN1
SCHEMBL13545121 0.80 MTNR1A (0.46) ALDH1A1CYP1A2LMNAPOLBMEN1
SCHEMBL21142858 0.80 LMNA (0.51) ALDH1A1CYP1A2LMNAPOLBMEN1
SCHEMBL10141029 0.80 PKM (0.42) ALDH1A1CYP1A2LMNAPOLBMEN1
SCHEMBL8915495 0.78 CYP2C19 (0.52) ALDH1A1CYP1A2LMNAPOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012021704-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2012-02-16 WO disclosed
WO-2011031904-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC (US) 2011-03-17 WO disclosed
WO-2011031934-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2011-03-17 WO disclosed
WO-2010148006-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2010-12-23 WO disclosed
WO-2010096462-A1 LINKED DIIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC (US) 2010-08-26 WO disclosed