SCHEMBL13152172

SCHEMBL13152172

CCn1c(C#Cc2ccc(NC(=O)C(C)C)cc2)c(N)c2ccc(OC)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
ALDH1A1 P00352 4/20 0.44
MTNR1B P49286 3/20 0.44
KDM4E B2RXH2 3/20 0.44
HPGD P15428 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 3/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MTNR1A P48039 1/20 0.39
ACACB O00763 1/20 0.38
GAA P10253 1/20 0.38
PFKFB2 O60825 1/20 0.37

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
SCHEMBL13151696 0.90 MAPT (0.44) MAPTALDH1A1MTNR1BKDM4EHPGD
SCHEMBL13153378 0.90 NPC1 (0.42) MAPTALDH1A1MTNR1BKDM4EHPGD
SCHEMBL10097656 0.89 PFKFB2 (0.48) MAPTALDH1A1MTNR1BKDM4ESMN1; SMN2
SCHEMBL13152055 0.89 MTNR1A (0.46) MAPTALDH1A1MTNR1BKDM4EHPGD
SCHEMBL10095367 0.87 MAPT (0.43) MAPTALDH1A1MTNR1BKDM4EHPGD
SCHEMBL10097607 0.87 MTNR1A (0.46) MAPTALDH1A1MTNR1BKDM4EHPGD
SCHEMBL10249955 0.85 MTNR1A (0.46) MAPTALDH1A1MTNR1BKDM4EHPGD
SCHEMBL10097294 0.84 MAPT (0.41) MAPTALDH1A1MTNR1BSMN1; SMN2LMNA
SCHEMBL10249312 0.84 MTNR1A (0.42) MAPTMTNR1BKDM4EHPGDSMN1; SMN2
SCHEMBL13152174 0.84 L3MBTL1 (0.42) MAPTALDH1A1MTNR1BKDM4ECYP1A2

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-2010118009-A1 HCV INHIBITOR AND THERAPEUTIC AGENT COMBINATIONS PTC THERAPEUTICS, INC. (US) 2010-10-14 WO disclosed