SCHEMBL27310244

SCHEMBL27310244

COS(=O)(=O)c1ncccc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
ALDH1A1 P00352 5/20 0.49
NPSR1 Q6W5P4 2/20 0.49
CYP3A4 P08684 1/20 0.49
MAPT P10636 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
BLM P54132 1/20 0.49
AGER Q15109 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
LMNA P02545 3/20 0.47
NAPRT Q6XQN6 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MYC P01106 1/20 0.44
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42

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
SCHEMBL31368527 0.81 KDM4E (0.55) KDM4ETDP1ALDH1A1NPSR1CYP3A4
SCHEMBL21449055 0.79 KDM4E (0.57) KDM4ETDP1ALDH1A1NPSR1CYP3A4
SCHEMBL5151972 0.77 NAPRT (0.56) KDM4ETDP1ALDH1A1NPSR1CYP3A4
SCHEMBL9826240 0.77 LMNA (0.56) KDM4ETDP1ALDH1A1NPSR1CYP3A4
SCHEMBL24351473 0.75 NOS3 (0.41) KDM4ESMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL6479557 0.75 KMT2A (0.54) KDM4ETDP1ALDH1A1NPSR1CYP3A4
SCHEMBL10516708 0.73 KDM4E (0.46) KDM4ETDP1ALDH1A1NPSR1CYP3A4
SCHEMBL71547 0.72 KDM4E (0.63) KDM4ETDP1ALDH1A1NPSR1CYP3A4
SCHEMBL29651292 0.72 KDM4E (0.63) KDM4ETDP1ALDH1A1NPSR1CYP3A4
SCHEMBL9712040 0.72 F2 (0.55) ALDH1A1ALOX15TSHRSMN1; SMN2

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
CN-1033031-C Modified gangliosides and functional derivatives thereof FIDIA SPA (IT) 1996-10-16 CN disclosed
CN-1051912-A Improved gangliosides and functional derivatives thereof FIDIA B P A (IT) 1991-06-05 CN disclosed