SCHEMBL5282264

SCHEMBL5282264

Cc1ccc(Oc2nc(-c3ccccc3)ncc2OC(=O)O)c(C)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.58
ALDH1A1 P00352 5/20 0.55
CYP1A2 P05177 5/20 0.53
CYP2C9 P11712 4/20 0.53
CYP2C19 P33261 4/20 0.53
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
NPSR1 Q6W5P4 3/20 0.49
LMNA P02545 3/20 0.45
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP3A4 P08684 1/20 0.45
NPC1 O15118 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
CASP3 P42574 1/20 0.45
RAB9A P51151 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 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
SCHEMBL5277000 0.91 ALDH1A1 (0.55) L3MBTL1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL5283006 0.89 L3MBTL1 (0.54) L3MBTL1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL5279608 0.88 ALDH1A1 (0.71) L3MBTL1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL5120266 0.84 MEN1 (0.64) L3MBTL1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL5279202 0.82 KMT2A (0.73) L3MBTL1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL5280143 0.81 L3MBTL1 (0.61) L3MBTL1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL5277536 0.81 L3MBTL1 (0.52) L3MBTL1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL5282184 0.80 L3MBTL1 (0.50) L3MBTL1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL5284020 0.79 ALDH1A1 (0.52) L3MBTL1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL5285487 0.79 ALDH1A1 (0.52) L3MBTL1ALDH1A1CYP1A2CYP2C9CYP2C19

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-1866289-A1 PYRIMIDINE CARBOXYLIC ACID DERIVATIVES AND USE THEREOF Bayer HealthCare AG (DE) 2007-12-19 EP disclosed
WO-2006097220-A1 PYRIMIDINE CARBOXYLIC ACID DERIVATIVES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2006-09-21 WO disclosed