SCHEMBL4734232

SCHEMBL4734232

Cc1nc(C(F)(F)F)c(OC(=O)Nc2ccccc2-c2ccc(SC(F)(F)F)cc2)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
ALDH1A1 P00352 2/20 0.38
KCNK2 O95069 2/20 0.36
KCNK10 P57789 1/20 0.36
CHRM3 P20309 2/20 0.35
TACR1 P25103 1/20 0.35
KIF11 P52732 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NTRK1 P04629 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 0.91 MAPT (0.41) MAPTALDH1A1KCNK2CHRM3TACR1
SCHEMBL4733183 0.87 SMN1; SMN2 (0.36) MAPTKCNK2KCNK10CHRM3TACR1
SCHEMBL4733535 0.84 MAPT (0.41) MAPTALDH1A1CHRM3TACR1MEN1
SCHEMBL4732975 0.83 CA12 (0.44) MAPTSMN1; SMN2MEN1KMT2APOLB
SCHEMBL2911519 0.83 CHRM3 (0.43) MAPTALDH1A1CHRM3TACR1NPC1
SCHEMBL4730301 0.82 MAPT (0.40) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2905171 0.80 CHRM3 (0.42) MAPTCHRM3SMN1; SMN2MEN1LMNA
SCHEMBL3034001 0.80 CHRM3 (0.39) MAPTALDH1A1KCNK2KCNK10CHRM3
SCHEMBL4730073 0.79 CA2 (0.39) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL4729048 0.78 RXFP1 (0.35) ALDH1A1KCNK2CHRM3TACR1MEN1

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