SCHEMBL4733534

SCHEMBL4733534

CSc1cccc(-c2ccccc2NC(=O)Oc2sc(C)nc2C(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 1/20 0.34
PLA2G1B P04054 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
CHRM3 P20309 11/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 2/20 0.33
PTGER1 P34995 1/20 0.33
PTGER4 P35408 1/20 0.33
PTGER3 P43115 1/20 0.33
PTGER2 P43116 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
USP2 O75604 1/20 0.32
POLB P06746 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
SCHEMBL4729048 0.90 RXFP1 (0.35) MEN1KMT2AL3MBTL1LMNAALDH1A1
SCHEMBL4733535 0.85 MAPT (0.41) MEN1KMT2AL3MBTL1LMNAALDH1A1
SCHEMBL4731393 0.84 CA2 (0.39) MEN1KMT2APOLBHTT
SCHEMBL4732011 0.84 ALDH1A1 (0.37) MEN1KMT2AL3MBTL1LMNAALDH1A1
SCHEMBL1019446 0.82 POLB (0.38) MEN1KMT2AL3MBTL1LMNAALDH1A1
SCHEMBL1024112 0.82 CHRM3 (0.40) MEN1KMT2ACHRM3MAPTKDM4E
SCHEMBL4733183 0.82 SMN1; SMN2 (0.36) MEN1KMT2AL3MBTL1LMNAPLA2G1B
SCHEMBL1018834 0.81 CHRM3 (0.44) MEN1KMT2AALDH1A1CHRM3MAPT
SCHEMBL4733778 0.80 ALDH1A1 (0.38) MEN1KMT2AL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL4733467 0.79 CA2 (0.44) MEN1KMT2AMAPTKDM4EPOLB

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