SCHEMBL2149158

SCHEMBL2149158

Cc1c(C(=O)NCCCc2ccccc2)c2ccccc2c(=O)n1NCCC(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.51
TDP1 Q9NUW8 2/20 0.50
KMT2A Q03164 4/20 0.48
MEN1 O00255 2/20 0.48
LMNA P02545 2/20 0.46
PKM P14618 1/20 0.46
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
HPGD P15428 2/20 0.45
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
POLB P06746 2/20 0.44
USP2 O75604 2/20 0.44
GAA P10253 1/20 0.44
KDM4E B2RXH2 2/20 0.44
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL2313394 0.83 L3MBTL1 (0.54) L3MBTL1TDP1KMT2AMEN1LMNA
SCHEMBL2834313 0.82 MEN1 (0.43) L3MBTL1TDP1KMT2AMEN1LMNA
SCHEMBL2010877 0.74 L3MBTL1 (0.48) L3MBTL1TDP1KMT2AMEN1TSHR
SCHEMBL2312288 0.72 L3MBTL1 (0.51) L3MBTL1TDP1KMT2AMEN1LMNA
SCHEMBL2834152 0.69 MEN1 (0.42) L3MBTL1TDP1KMT2AMEN1LMNA
SCHEMBL15969988 0.68 L3MBTL1 (0.83) L3MBTL1TDP1KMT2AMEN1LMNA
SCHEMBL2154236 0.67 TACR3 (0.48) KMT2AMEN1LMNATSHRSMN1; SMN2
SCHEMBL2830092 0.66 HTT (0.42) L3MBTL1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL164622 0.64 L3MBTL1 (0.72) L3MBTL1KMT2ATSHRSMN1; SMN2NPC1
SCHEMBL10150603 0.64 CNR1 (0.44) L3MBTL1TDP1KMT2AMEN1LMNA

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
EP-2342182-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. Lundbeck A/S (DK) 2011-07-13 EP claimed