SCHEMBL4593679

SCHEMBL4593679

CCCC(=O)c1ccc(N(C)Cc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.57
HPGD P15428 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
KMT2A Q03164 3/20 0.51
MEN1 O00255 1/20 0.51
HSD17B3 P37058 1/20 0.49
NR1H2 P55055 1/20 0.48
NR1H3 Q13133 1/20 0.48
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
EGFR P00533 2/20 0.45
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
RXRA P19793 1/20 0.43

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
SCHEMBL3633941 0.84 GRM2 (0.53) L3MBTL1HPGDSMN1; SMN2
SCHEMBL5321630 0.84 TSHR (0.60) L3MBTL1HPGDSMN1; SMN2KMT2AMEN1
SCHEMBL10506729 0.83 GSK3B (0.55) HPGDKMT2AMEN1NR1H2NR1H3
SCHEMBL26023444 0.82 RXRA (0.58) HPGDKMT2AMEN1NR1H2NR1H3
SCHEMBL8002100 0.81 HPGD (0.62) L3MBTL1HPGDKMT2AMEN1NR1H2
Butyrophenone SCHEMBL27652073 0.78 L3MBTL1 (0.69) L3MBTL1HPGDSMN1; SMN2KMT2AMEN1
SCHEMBL11881187 0.78 NR1H2 (0.62) KMT2AMEN1NR1H2NR1H3NPC1
SCHEMBL26023443 0.77 CA1 (0.55) HPGDSMN1; SMN2KMT2AMEN1NR1H2
SCHEMBL10345229 0.77 HSD17B3 (0.62) L3MBTL1HPGDSMN1; SMN2KMT2AMEN1
Butyrophenone SCHEMBL25423577 0.76 L3MBTL1 (0.77) L3MBTL1HPGDSMN1; SMN2KMT2AMEN1

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
EP-1912649-A2 QUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-04-23 EP disclosed
WO-2007014934-A2 QUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-08 WO disclosed