SCHEMBL8338965

SCHEMBL8338965

N#Cc1ccc(-c2nc(C(F)(F)F)c(C(=O)O)s2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
KDM4E B2RXH2 2/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 2/20 0.45
POLB P06746 1/20 0.45
CSNK1D P48730 1/20 0.44
CSNK1E P49674 1/20 0.44
GAA P10253 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC1 Q13547 1/20 0.43
ALDH1A1 P00352 2/20 0.41
TARBP2 Q15633 2/20 0.41
GRIA2 P42262 1/20 0.41
GRIA4 P48058 1/20 0.41
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
KIF11 P52732 1/20 0.41

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
SCHEMBL8341574 0.83 SMN1; SMN2 (0.64) SMN1; SMN2KDM4ERAB9ANPC1POLB
SCHEMBL8338941 0.83 ALDH1A1 (0.54) SMN1; SMN2KDM4ERAB9ANPC1POLB
SCHEMBL16703796 0.83 SMN1; SMN2 (0.49) SMN1; SMN2KDM4ERAB9ANPC1POLB
SCHEMBL4497703 0.83 SMN1; SMN2 (0.59) SMN1; SMN2KDM4ERAB9ANPC1POLB
SCHEMBL8345836 0.82 MAPT (0.58) KDM4EFNTAFNTBCDC7DBF4
SCHEMBL24303680 0.82 RAB9A (0.48) SMN1; SMN2KDM4ERAB9ANPC1POLB
SCHEMBL873941 0.82 RAB9A (0.48) SMN1; SMN2KDM4ERAB9ANPC1POLB
SCHEMBL28677825 0.80 SMN1; SMN2 (0.44) SMN1; SMN2KDM4ERAB9ANPC1POLB
SCHEMBL5899840 0.79 RAB9A (0.70) SMN1; SMN2KDM4ERAB9ANPC1POLB
SCHEMBL5937204 0.77 RAB9A (0.44) SMN1; SMN2KDM4ERAB9ANPC1POLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5888941-A Carbozamides with antifungal activity J. URIACH & CIA. S.A. (ES) 1999-03-30 US disclosed
EP-0783502-A1 NEW CARBOXAMIDES WITH ANTIFUNGAL ACTIVITY J. URIACH & CIA. S.A. (ES) 1997-07-16 EP disclosed
WO-1997005131-A1 NEW CARBOXAMIDES WITH ANTIFUNGAL ACTIVITY J. URIACH & CIA. S.A. (ES) 1997-02-13 WO disclosed