SCHEMBL10909552

SCHEMBL10909552

CCOc1ccc(N)c(F)c1OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 5/20 0.48
L3MBTL1 Q9Y468 4/20 0.48
MAPT P10636 3/20 0.48
HSD17B10 Q99714 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.48
NPC1 O15118 2/20 0.42
USP2 O75604 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CREBBP Q92793 1/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 1/20 0.40
ATM Q13315 1/20 0.40
TUBB1 Q9H4B7 1/20 0.39
TDP1 Q9NUW8 3/20 0.38

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
SCHEMBL7736641 0.86 MAPT (0.53) ALDH1A1KDM4EL3MBTL1MAPTHSD17B10
SCHEMBL6675123 0.82 ALDH1A1 (0.53) ALDH1A1KDM4EL3MBTL1MAPTHSD17B10
SCHEMBL10138488 0.78 TUBB1 (0.40) ALDH1A1KDM4EL3MBTL1MAPTHSD17B10
SCHEMBL14190820 0.78 ALDH1A1 (0.44) ALDH1A1KDM4EL3MBTL1MAPTHSD17B10
SCHEMBL2123778 0.78 TUBB1 (0.40) ALDH1A1KDM4EL3MBTL1MAPTHSD17B10
SCHEMBL12187414 0.77 TSHR (0.44) ALDH1A1KDM4EL3MBTL1MAPTHSD17B10
SCHEMBL9196941 0.76 ALDH1A1 (0.48) ALDH1A1KDM4EL3MBTL1MAPTHSD17B10
SCHEMBL17527769 0.76 L3MBTL1 (0.48) ALDH1A1KDM4EL3MBTL1MAPTHSD17B10
SCHEMBL9793008 0.76 MAPT (0.52) ALDH1A1KDM4EL3MBTL1MAPTHSD17B10
Hydrochloric Acid SCHEMBL9793078 0.74 MAPT (0.50) ALDH1A1KDM4EL3MBTL1MAPTHSD17B10

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
US-4605668-A FOR BENZIMIDAZOLE, THIOPHANATE, AND/OR CYCLIC MIDE FUNGICIDERESISTANT PHYTOPATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-08-12 US disclosed
EP-0126628-A1 Fungicidal aniline derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-11-28 EP disclosed