SCHEMBL5133305

SCHEMBL5133305

CCOc1ccc2nc(N3CCCCCC3)c(C#N)c(N3CCCCCC3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 9/20 0.51
▸ KMT2A Q03164 9/20 0.51
▸ ALDH1A1 P00352 9/20 0.51
▸ MAPT P10636 8/20 0.51
▸ KDM4E B2RXH2 7/20 0.51
▸ HPGD P15428 5/20 0.51
▸ RAB9A P51151 4/20 0.51
▸ POLB P06746 2/20 0.51
▸ BLM P54132 1/20 0.51
▸ TP53 P04637 3/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ NFKB2 Q00653 1/20 0.48
▸ RELA Q04206 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
SCHEMBL2522896 0.69 CASP1 (0.62) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL5525346 0.69 KCNA5 (0.46) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL5014910 0.68 KDM4E (0.72) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL17872075 0.68 CSF1R (0.54) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL8238647 0.67 LMNA (0.80) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL14917256 0.67 ADORA2A (0.56) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL6529865 0.67 PDE10A (0.50) KMT2AALDH1A1KDM4EHPGDPOLB
SCHEMBL6529863 0.67 NCF1 (0.47) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL3481335 0.67 MAPT (0.51) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL5133306 0.67 KDM4E (0.55) MEN1KMT2AALDH1A1MAPTKDM4E

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-1937252-A2 METHODS AND COMPOSITIONS FOR STIMULATING NEUROGENESIS AND INHIBITING NEURONAL DEGENERATION Neuronascent, Inc. (US) 2008-07-02 — — EP disclosed
WO-2007035722-A2 METHODS AND COMPOSITIONS FOR STIMULATING NEUROGENESIS AND INHIBITING NEURONAL DEGENERATION NEURONASCENT, INC. (US) 2007-03-29 — — WO disclosed
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