SCHEMBL13152134

SCHEMBL13152134

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.42
HPGD P15428 1/20 0.41
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
TP53 P04637 3/20 0.39
KDR P35968 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL10097644 0.95 MAPT (0.45) MAPTHPGDKMT2AALDH1A1MEN1
SCHEMBL14467118 0.93 MAPT (0.42) MAPTHPGDKMT2AALDH1A1MEN1
SCHEMBL13152128 0.93 ALDH1A1 (0.42) MAPTHPGDKMT2AALDH1A1MEN1
SCHEMBL10097769 0.90 KMT2A (0.52) MAPTKMT2ATP53NPC1LMNA
SCHEMBL10097724 0.89 ALDH1A1 (0.47) MAPTKMT2AALDH1A1MEN1TP53
SCHEMBL13152653 0.87 MAPT (0.41) MAPTHPGDKMT2AALDH1A1MEN1
SCHEMBL10096384 0.86 ADRB1 (0.42) MAPTHPGDKMT2AALDH1A1MEN1
SCHEMBL12108935 0.86 MAPT (0.45) MAPTHPGDKMT2AALDH1A1TP53
SCHEMBL13152654 0.86 HPGD (0.41) MAPTHPGDKMT2AALDH1A1MEN1
SCHEMBL13152494 0.86 NPC1 (0.44) MAPTHPGDKMT2AALDH1A1MEN1

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