SCHEMBL4732011

SCHEMBL4732011

CSc1ccccc1-c1ccccc1NC(=O)Oc1sc(C)nc1C(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
MAPT P10636 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KMT2A Q03164 6/20 0.35
HSD17B10 Q99714 4/20 0.35
HPGD P15428 3/20 0.35
MEN1 O00255 3/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TP53 P04637 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PKM P14618 1/20 0.33
ALOX15 P16050 2/20 0.33
LMNA P02545 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPK1 P28482 1/20 0.33
NPC1 O15118 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
SCHEMBL4730301 0.84 MAPT (0.40) ALDH1A1MAPTL3MBTL1KMT2AHSD17B10
SCHEMBL4733534 0.84 AKR1C3 (0.35) ALDH1A1MAPTL3MBTL1KMT2AHSD17B10
SCHEMBL1019446 0.82 POLB (0.38) ALDH1A1MAPTL3MBTL1KMT2AHSD17B10
SCHEMBL1018834 0.81 CHRM3 (0.44) ALDH1A1MAPTKMT2AMEN1TP53
SCHEMBL4733183 0.81 SMN1; SMN2 (0.36) MAPTL3MBTL1KMT2AHSD17B10MEN1
SCHEMBL4733778 0.80 ALDH1A1 (0.38) ALDH1A1L3MBTL1KMT2AMEN1KDM4E
SCHEMBL4733467 0.79 CA2 (0.44) MAPTKMT2AMEN1KDM4EPOLB
SCHEMBL1024112 0.79 CHRM3 (0.40) MAPTKMT2AMEN1KDM4ENPSR1
SCHEMBL4729048 0.78 RXFP1 (0.35) ALDH1A1L3MBTL1KMT2AMEN1LMNA
SCHEMBL4731393 0.76 CA2 (0.39) KMT2AMEN1POLBNPC1RAB9A

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
WO-2008053044-A2 HETARYL CARBON ACID-N-(BIPHEN-2-YL)AMIDE COMPOUNDS BASF SE (DE) 2008-05-08 WO claimed
WO-2008053044-A2 HETARYL CARBON ACID-N-(BIPHEN-2-YL)AMIDE COMPOUNDS BASF SE (DE) 2008-05-08 WO disclosed