SCHEMBL6700291

SCHEMBL6700291

CCCCCC1C(=O)N(c2ccccc2)N=C1C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 11/20 0.63
LOX P28300 1/20 0.55
LOXL3 P58215 1/20 0.55
LOXL4 Q96JB6 1/20 0.55
LOXL2 Q9Y4K0 1/20 0.55
ALDH1A1 P00352 5/20 0.52
GFER P55789 1/20 0.52
LMNA P02545 3/20 0.48
PKM P14618 1/20 0.48
HTT P42858 1/20 0.48
MAPT P10636 3/20 0.47
CYP3A4 P08684 2/20 0.47
MAPK1 P28482 2/20 0.47
RAB9A P51151 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
PTGS1 P23219 1/20 0.47

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
SCHEMBL5279293 0.96 CES2 (0.65) CES2LOXLOXL3LOXL4LOXL2
SCHEMBL6042079 0.82 CES2 (0.67) CES2LOXLOXL3LOXL4LOXL2
SCHEMBL4663174 0.82 CES2 (0.67) CES2LOXLOXL3LOXL4LOXL2
Bromide SCHEMBL27001736 0.82 CES2 (0.55) CES2LOXLOXL3LOXL4LOXL2
Bromide SCHEMBL27001757 0.81 CES2 (0.54) CES2LOXLOXL3LOXL4LOXL2
SCHEMBL419526 0.80 CES2 (0.68) CES2LOXLOXL3LOXL4LOXL2
Mofebutazone SCHEMBL27513530 0.80 ALDH1A1 (0.57) CES2LOXLOXL3LOXL4LOXL2
SCHEMBL27001761 0.80 CES2 (0.53) CES2LOXLOXL3LOXL4LOXL2
SCHEMBL3438740 0.80 CES2 (0.63) CES2LOXLOXL3LOXL4LOXL2
Bromide SCHEMBL29862022 0.79 CES2 (0.52) CES2LOXLOXL3LOXL4LOXL2

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
WO-2004052979-A1 A THERMOPLASTIC LIGHT-TRANSFORMING COPOLYMER COMPOSITION USEFUL FOR SHIFTING OF ULTRAVIOLET RADIATION INTO RED SPECTRAL REGION AND A METHOD FOR PRODUCTION THEREOF POLYMASTER LTD. (IL) 2004-06-24 WO claimed
WO-2004052979-A1 A THERMOPLASTIC LIGHT-TRANSFORMING COPOLYMER COMPOSITION USEFUL FOR SHIFTING OF ULTRAVIOLET RADIATION INTO RED SPECTRAL REGION AND A METHOD FOR PRODUCTION THEREOF POLYMASTER LTD. (IL) 2004-06-24 WO disclosed