SCHEMBL15958257

SCHEMBL15958257

Cc1cc(Cl)n2nc([C@@H]3CCCCN3C(=O)OCc3ccccc3)cc2n1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AADAT Q8N5Z0 2/20 0.48
▸ TMEM97 Q5BJF2 7/20 0.46
▸ SIGMAR1 Q99720 7/20 0.46
▸ GFER P55789 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ FKBP1A P62942 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PREP P48147 1/20 0.40
▸ ACE2 Q9BYF1 1/20 0.39

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
SCHEMBL221048 0.88 AADAT (0.48) AADATTMEM97SIGMAR1GFERNPSR1
SCHEMBL15503355 0.84 AADAT (0.47) AADATTMEM97SIGMAR1GFERFKBP1A
SCHEMBL15957792 0.82 SIGMAR1 (0.49) AADATTMEM97SIGMAR1GFER
SCHEMBL12952997 0.81 SIGMAR1 (0.48) AADATTMEM97SIGMAR1ALDH1A1PREP
SCHEMBL22176306 0.79 KLK7 (0.41) AADATTMEM97SIGMAR1KDM4EALDH1A1
SCHEMBL30311378 0.79 KLK7 (0.41) AADATTMEM97SIGMAR1KDM4EALDH1A1
SCHEMBL30311213 0.78 AADAT (0.38) AADATTMEM97SIGMAR1NPSR1FKBP1A
SCHEMBL15957791 0.78 ALDH1A1 (0.48) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL30311334 0.77 KLK7 (0.40) AADATTMEM97SIGMAR1ALDH1A1NPSR1
SCHEMBL14050894 0.77 AADAT (0.48) AADATTMEM97SIGMAR1GFERNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809330-B2 Pyrazolo[1,5-A]pyrimidines for antiviral treatment GILEAD SCIENCES, INC. (US) 2014-08-19 — — US disclosed
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