SCHEMBL10537516

SCHEMBL10537516

Cc1cccc(-c2nc(O)cc(-c3ccccc3Cl)n2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.42
CCR8 P51685 1/20 0.42
GRM5 P41594 2/20 0.41
HSP90AA1 P07900 2/20 0.41
HSP90AB1 P08238 1/20 0.41
KMT2A Q03164 5/20 0.39
MAPK14 Q16539 3/20 0.39
MEN1 O00255 4/20 0.38
ATM Q13315 1/20 0.38
CYP19A1 P11511 1/20 0.38
JAK2 O60674 1/20 0.37
LIMK1 P53667 1/20 0.37
LIMK2 P53671 1/20 0.37
TGFBR1 P36897 1/20 0.37
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 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
SCHEMBL10537438 0.87 TGFBR1 (0.46) CCR1CCR8GRM5HSP90AA1HSP90AB1
SCHEMBL10540409 0.85 HSP90AA1 (0.54) CCR1CCR8GRM5HSP90AA1HSP90AB1
SCHEMBL31127079 0.81 CCR1 (0.58) CCR1CCR8GRM5MAPK14TGFBR1
SCHEMBL2614974 0.81 CCR1 (0.58) CCR1CCR8GRM5HSP90AA1HSP90AB1
SCHEMBL2241672 0.81 CCR1 (0.58) CCR1CCR8GRM5MAPK14TGFBR1
SCHEMBL10539246 0.81 PDE2A (0.40) CCR1CCR8GRM5HSP90AA1HSP90AB1
SCHEMBL8951931 0.79 CCR1 (0.47) CCR1CCR8GRM5KMT2AMAPK14
SCHEMBL6588868 0.79 HSP90AA1 (0.47) HSP90AA1HSP90AB1KMT2AMEN1CYP19A1
SCHEMBL2016378 0.78 CCR1 (0.54) CCR1CCR8GRM5KMT2AMAPK14
SCHEMBL10539809 0.77 GRM5 (0.52) CCR1CCR8GRM5MAPK14CYP19A1

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
US-4873248-A Pyridinylpyrimidines having fungicidal activity SUMITOMO CHEMICAL CO., LTD. (JP) 1989-10-10 US disclosed
EP-0270362-A2 Pyridinylpyrimidine derivatives, method for production thereof and a fungicide containing them as the active ingredient SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-06-08 EP disclosed