SCHEMBL13152128

SCHEMBL13152128

CCNC(=O)Nc1ccc(-c2c(N)c3ccc(OCC)cc3n2C(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
MAPT P10636 10/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
NPC1 O15118 2/20 0.39
MTNR1B P49286 1/20 0.39
GAA P10253 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RAB9A P51151 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TTK P33981 1/20 0.38
MAPK8 P45983 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
KDR P35968 1/20 0.38
POLB P06746 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
SCHEMBL13152134 0.93 MAPT (0.42) ALDH1A1MAPTKMT2AMEN1NPC1
SCHEMBL10097644 0.91 MAPT (0.45) ALDH1A1MAPTKMT2AMEN1MAPK1
SCHEMBL10097724 0.90 ALDH1A1 (0.47) ALDH1A1MAPTKMT2AMEN1NPC1
SCHEMBL10097769 0.88 KMT2A (0.52) MAPTKMT2ANPC1RAB9AMAPK1
SCHEMBL13152494 0.87 NPC1 (0.44) ALDH1A1MAPTKMT2AMEN1NPC1
SCHEMBL13152654 0.87 HPGD (0.41) ALDH1A1MAPTKMT2AMEN1NPC1
SCHEMBL13152474 0.87 ALDH1A1 (0.40) ALDH1A1MAPTKMT2AMEN1NPC1
SCHEMBL10096394 0.86 ALDH1A1 (0.40) ALDH1A1MAPTKMT2AMEN1NPC1
SCHEMBL14467118 0.85 MAPT (0.42) ALDH1A1MAPTKMT2AMEN1NPC1
SCHEMBL13152492 0.85 SMN1; SMN2 (0.42) ALDH1A1MAPTKMT2AMEN1NPC1

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
WO-2010118009-A1 HCV INHIBITOR AND THERAPEUTIC AGENT COMBINATIONS PTC THERAPEUTICS, INC. (US) 2010-10-14 WO disclosed
WO-2007084435-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed