SCHEMBL6821893

SCHEMBL6821893

CC(=O)c1c[nH]c(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 1/20 0.34
MAPT P10636 3/20 0.33
PBRM1 Q86U86 1/20 0.33
KMT2A Q03164 1/20 0.33
KCNN4 O15554 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
SGK1 O00141 3/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32

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
SCHEMBL1828996 0.87 KDM4E (0.39) ALDH1A1CYP1A2MAPTKMT2ASMN1; SMN2
SCHEMBL1830315 0.83 KCNN4 (0.40) ALDH1A1CYP1A2MAPTKMT2AKCNN4
SCHEMBL10896790 0.81 L3MBTL1 (0.39) MAPTKMT2ACYP2C19HIF1ASMN1; SMN2
SCHEMBL7406367 0.79 MAPT (0.33) ALDH1A1MAPTKMT2AKCNN4
SCHEMBL7405033 0.79 KCNN4 (0.36) KMT2AKCNN4
SCHEMBL18065068 0.79 TRPM8 (0.36) KCNN4
SCHEMBL6821626 0.78 RECQL (0.50) ALDH1A1CYP1A2MAPTKMT2ACYP2C19
SCHEMBL15471417 0.75 ALDH1A1 (0.31) ALDH1A1
SCHEMBL6410046 0.75 ALDH1A1 (0.45) ALDH1A1CYP1A2KMT2AKCNN4CYP2C19
SCHEMBL7978927 0.75 AKR1C3 (0.42) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002020512-A9 IMIDAZOLO-5-YL-2-ANILINO-PYRIMIDINES AS AGENTS FOR THE INHIBITION OF THE CELL PROLIFERATION ASTRAZENECA AB (SE) 2004-05-06 WO disclosed
EP-1351958-A1 IMIDAZOLO-5-YL-2-ANILINO-PYRIMIDINES AS AGENTS FOR THE INHIBITION OF THE CELL PROLIFERATION AstraZeneca AB (SE) 2003-10-15 EP disclosed
WO-2002020512-A1 IMIDAZOLO-5-YL-2-ANILINO-PYRIMIDINES AS AGENTS FOR THE INHIBITION OF THE CELL PROLIFERATION ASTRAZENECA AB (SE) 2002-03-14 WO disclosed