SCHEMBL9022797

SCHEMBL9022797

N#Cc1c(-c2ccc(C(F)(F)F)cc2)n(O)c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.41
CYP11B2 P19099 2/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
GLO1 Q04760 1/20 0.37
GAA P10253 2/20 0.36
TP53 P04637 1/20 0.36
EGFR P00533 1/20 0.36
SRC P12931 1/20 0.36
DNM1 Q05193 1/20 0.36
MAPK1 P28482 1/20 0.35
STAT3 P40763 1/20 0.35
TNKS O95271 1/20 0.35
WNT3A P56704 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
NPC1 O15118 1/20 0.34

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
SCHEMBL9022603 0.85 CTSS (0.42) KIF11CYP11B2ALDH1A1SMN1; SMN2MAOA
SCHEMBL9023051 0.84 PARP1 (0.42) CYP11B2MAPTALDH1A1SMN1; SMN2MAOA
SCHEMBL9022740 0.84 MAOA (0.51) CYP11B2MAPTALDH1A1SMN1; SMN2TDP1
SCHEMBL9023138 0.81 CYP11B2 (0.51) CYP11B2MAPTALDH1A1TDP1MAOA
SCHEMBL9023294 0.78 MAOA (0.41) CYP11B2MAPTALDH1A1TDP1MAOA
SCHEMBL9022441 0.78 MAOA (0.54) CYP11B2MAPTALDH1A1TDP1MAOA
SCHEMBL9023167 0.77 PGR (0.45) CYP11B2MAPTALDH1A1SMN1; SMN2TDP1
SCHEMBL9022513 0.77 MAOA (0.40) CYP11B2MAPTALDH1A1TDP1MAOA
SCHEMBL9022520 0.77 MAOA (0.40) CYP11B2MAPTALDH1A1TDP1MAOA
SCHEMBL9378933 0.76 MAOA (0.39) CYP11B2MAPTALDH1A1SMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0470665-B1 1-Hydroxyindole fungicides EASTMAN KODAK CO (US) 1996-04-24 EP disclosed
EP-0472231-B1 2-Substituted-1-hydroxyindoles EASTMAN KODAK CO (US) 1994-10-26 EP disclosed
US-5183894-A Agricultural fungicides EASTMAN KODAK COMPANY (US) 1993-02-02 US disclosed
US-5118695-A 1-HYDROXYINDOLE FUNGICIDES EASTMAN KODAK COMPANY (US) 1992-06-02 US disclosed
EP-0472231-A1 2-Substituted-1-hydroxyindoles EASTMAN KODAK COMPANY (US) 1992-02-26 EP disclosed
EP-0470665-A1 1-Hydroxyindole fungicides EASTMAN KODAK COMPANY (US) 1992-02-12 EP disclosed