SCHEMBL4429295

SCHEMBL4429295

CCOC(=O)c1ccc(CN(C)CC2CCCO2)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
RAB9A P51151 2/20 0.54
GAA P10253 4/20 0.53
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TP53 P04637 4/20 0.51
NPC1 O15118 1/20 0.51
CYP1A2 P05177 1/20 0.51
HPGD P15428 1/20 0.51
OXTR P30559 2/20 0.48
AVPR1A P37288 2/20 0.48
POLB P06746 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
SCHEMBL63670 0.88 KMT2A (0.64) MAPTRAB9AGAAMEN1ALDH1A1
SCHEMBL5316912 0.83 GAA (0.54) MAPTGAAMEN1ALDH1A1KMT2A
SCHEMBL4905603 0.83 GAA (0.54) MAPTGAAMEN1ALDH1A1KMT2A
SCHEMBL4907547 0.83 GAA (0.54) MAPTGAAMEN1ALDH1A1KMT2A
SCHEMBL511573 0.82 RAB9A (0.60) MAPTCYP2C9CYP2C19RAB9AGAA
SCHEMBL82476 0.80 KMT2A (0.51) MAPTGAAMEN1KMT2ASMN1; SMN2
SCHEMBL3094416 0.76 GAA (0.45) MAPTGAAMEN1KMT2ATP53
SCHEMBL16373718 0.76 GAA (0.59) MAPTGAAMEN1KMT2ATP53
SCHEMBL3094410 0.76 GAA (0.45) MAPTGAAMEN1KMT2ATP53
SCHEMBL3190543 0.76 GAA (0.45) MAPTGAAMEN1KMT2ATP53

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-2125748-A2 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS AstraZeneca AB (SE) 2009-12-02 EP disclosed
WO-2008075068-A2 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS ASTRAZENECA AB (SE) 2008-06-26 WO disclosed