SCHEMBL7046593

SCHEMBL7046593

Cc1ccccc1C(=O)N(N)C(=O)c1ccco1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
MEN1 O00255 1/20 0.52
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 2/20 0.46
HTT P42858 1/20 0.46
ATM Q13315 2/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
POLB P06746 3/20 0.41
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL11311905 0.77 KMT2A (0.60) KMT2AMEN1TSHRMAPK1MAPT
SCHEMBL11318283 0.77 KMT2A (0.50) KMT2ATSHRMAPK1HTTRAB9A
SCHEMBL20957602 0.76 TSHR (0.51) KMT2ATSHRMAPK1RAB9AALDH1A1
SCHEMBL5201425 0.73 CES2 (0.54) KMT2AMEN1MAPTNPSR1HTT
SCHEMBL22612158 0.73 NPC1 (0.43) KMT2AMEN1TSHRMAPK1MAPT
SCHEMBL28257505 0.72 KMT2A (0.46) KMT2ATSHRMAPK1MAPTRAB9A
SCHEMBL6469132 0.72 MEN1 (0.71) KMT2AMEN1MAPK1MAPTHTT
SCHEMBL3824409 0.72 KMT2A (0.54) KMT2AMEN1MAPK1MAPTATM
SCHEMBL6832097 0.71 KMT2A (0.56) KMT2AMEN1TSHRMAPK1MAPT
SCHEMBL9492815 0.71 HTT (0.43) KMT2AMEN1MAPTNPSR1HTT

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-2004110351-A2 HETEROCYCLIC COMPOUNDS FOR TREATING HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2004-12-23 WO disclosed