SCHEMBL19495351

SCHEMBL19495351

CCOC1=C(NC(=O)N2CCCN(c3nc4cc(F)c(F)cc4cc3C#N)CC2)C=CCC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.54
▸ ALDH1A1 P00352 5/20 0.54
▸ MEN1 O00255 5/20 0.54
▸ KMT2A Q03164 5/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ CASP1 P29466 3/20 0.54
▸ LMNA P02545 2/20 0.54
▸ TSHR P16473 2/20 0.54
▸ CASP7 P55210 2/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ ATM Q13315 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ P2RY12 Q9H244 10/20 0.44
▸ MAPT P10636 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ HPGD P15428 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ CFTR P13569 1/20 0.40

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
SCHEMBL12043100 0.81 MEN1 (0.69) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL14073364 0.76 ALDH1A1 (0.70) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2525573 0.74 KDM4E (0.84) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL19495014 0.73 KDM4E (0.58) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL12043094 0.70 KDM4E (0.85) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL16940595 0.70 KDM4E (0.74) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL12043118 0.69 ALDH1A1 (0.70) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL12043096 0.69 MEN1 (0.81) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5014910 0.68 KDM4E (0.72) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL14073368 0.68 KDM4E (0.64) KDM4EALDH1A1MEN1KMT2ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937252-B1 COMPOSITIONS FOR STIMULATING NEUROGENESIS AND INHIBITING NEURONAL DEGENERATION NEURONASCENT INC (US) 2017-10-25 — — EP disclosed
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