SCHEMBL8345184

SCHEMBL8345184

CCOC(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1C(F)(F)F

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPC1 P48995 2/20 0.67
TRPC3 Q13507 2/20 0.67
STIM1 Q13586 2/20 0.67
ORAI1 Q96D31 2/20 0.67
STIM2 Q9P246 2/20 0.67
MAPT P10636 8/20 0.62
SMN1; SMN2 Q16637 3/20 0.58
RAB9A P51151 2/20 0.58
NPC1 O15118 1/20 0.58
LMNA P02545 1/20 0.55
ALDH1A1 P00352 8/20 0.55
HPGD P15428 7/20 0.55
KDM4E B2RXH2 6/20 0.55
L3MBTL1 Q9Y468 4/20 0.55
MEN1 O00255 2/20 0.55
GAA P10253 2/20 0.55
KMT2A Q03164 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
CYP1A2 P05177 2/20 0.54
CYP2C9 P11712 2/20 0.54

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
SCHEMBL21419596 0.91 TRPC1 (0.68) TRPC1TRPC3STIM1ORAI1STIM2
SCHEMBL1194642 0.90 TRPC1 (0.67) TRPC1TRPC3STIM1ORAI1STIM2
SCHEMBL21604763 0.90 TRPC1 (0.64) TRPC1TRPC3STIM1ORAI1STIM2
SCHEMBL2325526 0.89 MAPT (0.76) TRPC1TRPC3STIM1ORAI1STIM2
SCHEMBL5533620 0.89 TRPC1 (0.66) TRPC1TRPC3STIM1ORAI1STIM2
SCHEMBL19692480 0.89 TRPC1 (0.66) TRPC1TRPC3STIM1ORAI1STIM2
SCHEMBL8343590 0.89 MAPT (0.60) TRPC1TRPC3STIM1ORAI1STIM2
SCHEMBL1814204 0.89 ALDH1A1 (0.67) TRPC1TRPC3STIM1ORAI1STIM2
SCHEMBL12931795 0.88 TRPC1 (0.66) TRPC1TRPC3STIM1ORAI1STIM2
SCHEMBL2722465 0.88 TRPC1 (0.64) TRPC1TRPC3STIM1ORAI1STIM2

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