SCHEMBL7942663

SCHEMBL7942663

O=C1C=CC(C(=O)NCc2ccccc2)=C(CC2NCCS2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 2/20 0.36
SCD O00767 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 1/20 0.35
ALOX12 P18054 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.34
NMT1 P30419 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
TSHR P16473 1/20 0.34
KDM1A O60341 1/20 0.34

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
SCHEMBL7865067 0.81 LMNA (0.38) MC4RKMT2AMEN1RXFP1HPGD
SCHEMBL9709040 0.72 RAB9A (0.52) MC4RKMT2AMEN1HPGD
SCHEMBL228875 0.68 POLB (0.44) HDAC8
SCHEMBL8790882 0.67 MC4R (0.55) MC4RHPGDLMNANPSR1HSD17B10
SCHEMBL7779326 0.60 MEN1 (0.42) KMT2AMEN1LMNANPSR1HSD17B10
SCHEMBL10408103 0.59 KMT2A (0.49) MC4RKMT2AMEN1RXFP1HPGD
SCHEMBL7434053 0.59 HPGD (0.46) KMT2AHPGDSMN1; SMN2L3MBTL1LMNA
SCHEMBL6814764 0.58 POLB (0.51)
SCHEMBL9516562 0.58 POLB (0.37) KMT2AMEN1SMN1; SMN2LMNACYP2C19
SCHEMBL11901003 0.57 KMT2A (0.89) KMT2AHPGDL3MBTL1LMNACYP1A2

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-2001066549-A1 INTERMEDIATE COMPOUNDS KYORIN PHARMACEUTICAL CO., LTD. (JP) 2001-09-13 WO disclosed