SCHEMBL7862448

SCHEMBL7862448

Cc1ccc2[nH]c(=O)c(C(=O)N(C)c3ccccc3)c(O)c2c1C=S

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
PGR P06401 1/20 0.38
PTGS2 P35354 1/20 0.38
KDM5A P29375 2/20 0.34
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
NPC1 O15118 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
ERN1 O75460 1/20 0.33
POLB P06746 2/20 0.33
GPBAR1 Q8TDU6 1/20 0.32
SRC P12931 1/20 0.32
ATM Q13315 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PADI4 Q9UM07 1/20 0.32

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
SCHEMBL7593043 0.87 HDAC4 (0.42) KDM5AERN1GPBAR1MAPT
SCHEMBL7860205 0.86 MEN1 (0.42) KMT2AMEN1KDM5AKDM4ELMNA
SCHEMBL7865102 0.85 MEN1 (0.38) KMT2AMEN1KDM5AKDM4ELMNA
SCHEMBL7861641 0.84 TSHR (0.38) KMT2AMEN1KDM4ELMNANPC1
SCHEMBL7818937 0.83 PTGS2 (0.44) KMT2AMEN1PGRPTGS2KDM5A
SCHEMBL6202118 0.83 MEN1 (0.43) KMT2AMEN1PGRPTGS2KDM5A
SCHEMBL7861633 0.82 KDM4E (0.37) KDM5AKDM4ENPC1ERN1MAPT
SCHEMBL7558786 0.80 MAPT (0.41) KMT2AMEN1KDM5AKDM4ERXFP1
SCHEMBL7556667 0.80 HSD17B1 (0.34) KMT2AMEN1KDM5AKDM4ERXFP1
SCHEMBL15200742 0.78 KMT2A (0.43) KMT2AMEN1PGRPTGS2KDM5A

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-1097139-A1 QUINOLINE DERIVATIVES Active Biotech AB (SE) 2001-05-09 EP disclosed
WO-2000003992-A1 QUINOLINE DERIVATIVES ACTIVE BIOTECH AB (SE) 2000-01-27 WO disclosed