SCHEMBL7076940

SCHEMBL7076940

CC(=O)OCCCCc1nc2ccccc2s1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.68
CYP2C19 P33261 1/20 0.68
HTT P42858 2/20 0.60
ALOX15 P16050 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
L3MBTL1 Q9Y468 3/20 0.53
LMNA P02545 2/20 0.53
MAPK1 P28482 1/20 0.53
HPGD P15428 3/20 0.52
RAB9A P51151 1/20 0.52
MAPT P10636 6/20 0.52
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
GAA P10253 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 6/20 0.52
POLB P06746 3/20 0.52
ATM Q13315 1/20 0.51

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
SCHEMBL5274661 0.99 CYP1A2 (0.67) CYP1A2CYP2C19HTTALOX15SMN1; SMN2
Iodide SCHEMBL3778841 0.97 CYP1A2 (0.65) CYP1A2CYP2C19HTTALOX15SMN1; SMN2
SCHEMBL29005884 0.90 CYP1A2 (0.74) CYP1A2CYP2C19HTTALOX15SMN1; SMN2
SCHEMBL28638703 0.84 HTT (0.61) CYP1A2CYP2C19HTTALOX15SMN1; SMN2
SCHEMBL7092172 0.82 ALOX15 (0.55) CYP1A2CYP2C19HTTALOX15SMN1; SMN2
SCHEMBL27509034 0.79 SMN1; SMN2 (0.68) HTTALOX15SMN1; SMN2L3MBTL1LMNA
SCHEMBL6642379 0.78 HTT (0.64) HTTALOX15SMN1; SMN2L3MBTL1LMNA
SCHEMBL6642195 0.78 L3MBTL1 (0.69) CYP1A2CYP2C19HTTALOX15SMN1; SMN2
SCHEMBL7829044 0.78 LMNA (0.59) CYP1A2CYP2C19HTTALOX15SMN1; SMN2
Bromide SCHEMBL11522514 0.77 SMN1; SMN2 (0.66) HTTALOX15SMN1; SMN2L3MBTL1LMNA

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
EP-1320571-A1 3-SPIRO-CYANIN FLUOROCHROMES AND THEIR USE IN BIOASSAYS INSTITUT FÜR CHEMO- UND BIOSENSORIK Münster e.V. (DE) 2003-06-25 EP disclosed
WO-2002026890-A1 3-SPIRO-CYANIN FLUOROCHROMES AND THEIR USE IN BIOASSAYS Institut für Chemo- und Biosensorik Münster E.V. (DE) 2002-04-04 WO disclosed