SCHEMBL5283873

SCHEMBL5283873

CCOC(=O)Oc1cnc(-c2cc(F)c(F)c(F)c2)nc1Oc1ccccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
ALDH1A1 P00352 5/20 0.47
NPSR1 Q6W5P4 3/20 0.47
HTT P42858 1/20 0.46
CYP1A2 P05177 4/20 0.43
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
LMNA P02545 3/20 0.41
POLB P06746 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
TSPO P30536 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
GAA P10253 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPK1 P28482 1/20 0.36
ATM Q13315 1/20 0.36
JAK2 O60674 1/20 0.36

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
SCHEMBL5281504 0.90 MAPT (0.46) MAPTALDH1A1NPSR1HTTCYP1A2
SCHEMBL5287033 0.87 LMNA (0.45) MAPTALDH1A1NPSR1HTTCYP1A2
SCHEMBL5289551 0.85 MAPT (0.48) MAPTALDH1A1NPSR1HTTCYP1A2
SCHEMBL5296815 0.85 MAPT (0.48) MAPTALDH1A1NPSR1HTTCYP1A2
SCHEMBL5118274 0.85 CYP1A2 (0.61) MAPTALDH1A1NPSR1HTTCYP1A2
SCHEMBL5283181 0.82 ALDH1A1 (0.39) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL5280054 0.80 MAPT (0.41) MAPTALDH1A1NPSR1HTTCYP1A2
SCHEMBL5280788 0.80 CYP1A2 (0.56) MAPTALDH1A1NPSR1HTTCYP1A2
SCHEMBL5119450 0.79 TDP1 (0.54) MAPTALDH1A1NPSR1CYP1A2CYP2C9
SCHEMBL5296867 0.78 CYP1A2 (0.50) MAPTALDH1A1NPSR1HTTCYP1A2

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