SCHEMBL4554482

SCHEMBL4554482

CCOC(=O)c1ccc(N2CCN3CCCCC3C2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
POLB P06746 3/20 0.58
HPGD P15428 2/20 0.49
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
MAPK1 P28482 1/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MBTD1 Q05BQ5 1/20 0.44
TP53BP1 Q12888 1/20 0.44
L3MBTL4 Q8NA19 1/20 0.44
L3MBTL3 Q96JM7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
HSP90AA1 P07900 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL6369261 0.96 ALDH1A1 (0.57) ALDH1A1POLBHPGDHTTSMN1; SMN2
SCHEMBL6135228 0.90 ALDH1A1 (0.67) ALDH1A1POLBHPGDHTTSMN1; SMN2
SCHEMBL6134915 0.89 ALDH1A1 (0.65) ALDH1A1POLBHPGDHTTSMN1; SMN2
SCHEMBL63892 0.88 ALDH1A1 (0.63) ALDH1A1POLBHPGDHTTSMN1; SMN2
SCHEMBL64181 0.86 ALDH1A1 (0.49) ALDH1A1POLBSMN1; SMN2NPC1RAB9A
SCHEMBL6369256 0.86 ALDH1A1 (0.61) ALDH1A1POLBHPGDHTTSMN1; SMN2
SCHEMBL64407 0.85 ALDH1A1 (0.58) ALDH1A1POLBHPGDHTTSMN1; SMN2
SCHEMBL63474 0.85 ALDH1A1 (0.59) ALDH1A1POLBHPGDHTTSMN1; SMN2
SCHEMBL64179 0.83 HRH3 (0.50) ALDH1A1POLBNPC1RAB9AMBTD1
SCHEMBL6538435 0.82 ALDH1A1 (0.60) ALDH1A1POLBHPGDHTTSMN1; SMN2

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