SCHEMBL29829316

SCHEMBL29829316

CC(=O)NNC(=O)N1Cc2ccccc2Oc2ccc(Cl)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 1.00
ALDH1A1 P00352 1/20 1.00
CYP1A2 P05177 1/20 1.00
CYP3A4 P08684 1/20 1.00
CYP2D6 P10635 1/20 1.00
MAPT P10636 1/20 1.00
ALOX15 P16050 1/20 1.00
CYP2C19 P33261 1/20 1.00
THPO P40225 1/20 1.00
PMP22 Q01453 1/20 1.00
KMT2A Q03164 1/20 1.00
PTGER2 P43116 4/20 0.70
PTGER1 P34995 8/20 0.69
HSD17B3 P37058 4/20 0.47
PGR P06401 1/20 0.45

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
SCHEMBL29362115 1.00 MEN1 (1.00) MEN1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL12648484 1.00 MEN1 (1.00) MEN1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL9857510 0.87 PTGER2 (0.80) MEN1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL11827815 0.86 MEN1 (0.76) MEN1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL11827802 0.86 MEN1 (0.76) MEN1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL11827339 0.86 ALDH1A1 (0.75) MEN1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL11832737 0.85 MAPT (0.74) MEN1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL9857831 0.85 ALDH1A1 (0.73) MEN1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL11839545 0.84 PTGER2 (0.79) MEN1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL11838052 0.84 MEN1 (0.72) MEN1ALDH1A1CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220175797-A1 OPHTHALMOLOGIC IRRIGATION SOLUTIONS AND METHOD OMEROS CORP (US) 2022-06-09 US disclosed