SCHEMBL13495282

SCHEMBL13495282

CCOC(=O)c1cnn(Cc2ccccc2)c1O

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.61
KMT2A Q03164 2/20 0.61
LMNA P02545 2/20 0.60
NPC1 O15118 1/20 0.60
ALDH1A1 P00352 5/20 0.55
TSHR P16473 2/20 0.53
MAPK1 P28482 1/20 0.53
HPGD P15428 2/20 0.52
CYP19A1 P11511 2/20 0.52
POLB P06746 1/20 0.52
PDE4B Q07343 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48

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
SCHEMBL21332805 0.88 SMN1; SMN2 (0.77) SMN1; SMN2KMT2ALMNANPC1ALDH1A1
SCHEMBL27032708 0.87 NPC1 (0.60) SMN1; SMN2KMT2ALMNANPC1ALDH1A1
SCHEMBL15920987 0.86 SMN1; SMN2 (0.61) SMN1; SMN2KMT2ALMNANPC1ALDH1A1
SCHEMBL20745892 0.86 NPC1 (0.59) SMN1; SMN2KMT2ALMNANPC1ALDH1A1
SCHEMBL6676998 0.85 SMN1; SMN2 (0.60) SMN1; SMN2KMT2ALMNANPC1ALDH1A1
SCHEMBL21333190 0.85 SMN1; SMN2 (0.60) SMN1; SMN2KMT2ALMNANPC1ALDH1A1
SCHEMBL15921183 0.85 SMN1; SMN2 (0.60) SMN1; SMN2KMT2ALMNANPC1ALDH1A1
SCHEMBL3265402 0.85 SMN1; SMN2 (0.60) SMN1; SMN2KMT2ALMNANPC1ALDH1A1
SCHEMBL4832108 0.85 NPC1 (0.81) SMN1; SMN2KMT2ALMNANPC1ALDH1A1
SCHEMBL3491679 0.84 ALDH1A1 (0.65) SMN1; SMN2KMT2ALMNANPC1ALDH1A1

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
WO-2010015656-A2 NEW ALKOXYPYRAZOLES INSTITUT PASTEUR (FR) 2010-02-11 WO disclosed
EP-2151434-A1 Alkoxypyrazoles and the process for their preparation Institut Pasteur (FR) 2010-02-10 EP disclosed