SCHEMBL5133306

SCHEMBL5133306

CCOc1ccc2nc(N3CCCCCN3)c(C#N)cc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 15/20 0.55
▸ ALDH1A1 P00352 14/20 0.55
▸ CASP1 P29466 11/20 0.55
▸ MEN1 O00255 10/20 0.55
▸ KMT2A Q03164 10/20 0.55
▸ CASP7 P55210 10/20 0.55
▸ MAPK1 P28482 5/20 0.55
▸ ALOX15 P16050 4/20 0.55
▸ TDP1 Q9NUW8 4/20 0.55
▸ RAB9A P51151 4/20 0.55
▸ ATM Q13315 3/20 0.55
▸ TP53 P04637 3/20 0.55
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ PABPC1 P11940 1/20 0.55
▸ APEX1 P27695 1/20 0.55
▸ HSD17B10 Q99714 7/20 0.54
▸ TSHR P16473 5/20 0.54
▸ NPSR1 Q6W5P4 3/20 0.54
▸ MAPT P10636 9/20 0.54
▸ RUNX1 Q01196 1/20 0.54

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 0.81 CASP1 (0.62) KDM4EALDH1A1CASP1MEN1KMT2A
SCHEMBL5014910 0.72 KDM4E (0.72) KDM4EALDH1A1CASP1MEN1KMT2A
SCHEMBL2529501 0.71 ALDH1A1 (0.63) KDM4EALDH1A1CASP1MEN1KMT2A
SCHEMBL12262605 0.70 ALDH1A1 (1.00) KDM4EALDH1A1CASP1MEN1KMT2A
SCHEMBL5133305 0.67 MEN1 (0.51) KDM4EALDH1A1CASP1MEN1KMT2A
SCHEMBL17872075 0.66 CSF1R (0.54) KDM4EALDH1A1CASP1MEN1KMT2A
SCHEMBL2490935 0.66 KDM4E (0.43) KDM4EALDH1A1TDP1MAPTRECQL
SCHEMBL28120216 0.65 HPGDS (0.56) KDM4EALDH1A1CASP1MEN1KMT2A
SCHEMBL9945363 0.65 NQO1 (0.69) KDM4EALDH1A1CASP1MEN1KMT2A
SCHEMBL29232119 0.64 RET (0.47) KDM4EALDH1A1KMT2ASMN1; SMN2HPGD

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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