SCHEMBL4733535

SCHEMBL4733535

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
CHRM3 P20309 9/20 0.36
ALDH1A1 P00352 3/20 0.36
TACR1 P25103 1/20 0.36
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
PLA2G1B P04054 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
ENPP1 P22413 1/20 0.34
PTGS2 P35354 1/20 0.33
SYK P43405 1/20 0.33

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
SCHEMBL4730702 0.92 MAPT (0.41) MAPTCHRM3ALDH1A1TACR1MEN1
SCHEMBL4733534 0.85 AKR1C3 (0.35) MAPTCHRM3ALDH1A1MEN1LMNA
SCHEMBL4734232 0.84 MAPT (0.41) MAPTCHRM3ALDH1A1TACR1MEN1
SCHEMBL4730073 0.84 CA2 (0.39) ALDH1A1MEN1KMT2APTGS2
SCHEMBL4730301 0.84 MAPT (0.40) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL2911519 0.83 CHRM3 (0.43) MAPTCHRM3ALDH1A1TACR1
SCHEMBL2905171 0.80 CHRM3 (0.42) MAPTCHRM3MEN1LMNAKMT2A
SCHEMBL4729048 0.79 RXFP1 (0.35) CHRM3ALDH1A1TACR1MEN1LMNA
SCHEMBL4732975 0.79 CA12 (0.44) MAPTMEN1KMT2APTGS2
SCHEMBL4599063 0.73 TSHR (0.43) MAPTALDH1A1MEN1LMNAKMT2A

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