SCHEMBL14601359

SCHEMBL14601359

CCOc1ccc2nc(N3CCN(C(=S)Nc4ccccc4F)CC3)c(N)cc2c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.51
▸ KMT2A Q03164 4/20 0.48
▸ LMNA P02545 3/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ ATM Q13315 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ CASP1 P29466 1/20 0.48
▸ CASP7 P55210 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ NPY2R P49146 1/20 0.47
▸ NPC1 O15118 2/20 0.46
▸ MAPT P10636 3/20 0.44
▸ GAA P10253 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.42
▸ PDGFRB P09619 1/20 0.41

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
SCHEMBL12043114 0.87 KDM4E (0.64) PKMKMT2ALMNAALDH1A1KDM4E
SCHEMBL14602136 0.86 MEN1 (0.65) KMT2ALMNAALDH1A1KDM4EATM
SCHEMBL1445522 0.84 KDM4E (0.69) PKMKMT2ALMNAALDH1A1KDM4E
SCHEMBL16940596 0.76 KDM4E (0.62) KMT2ALMNAALDH1A1KDM4EATM
SCHEMBL2525573 0.74 KDM4E (0.84) KMT2ALMNAALDH1A1KDM4EATM
SCHEMBL14733477 0.74 ALDH1A1 (0.47) PKMKMT2ALMNAALDH1A1KDM4E
SCHEMBL12043125 0.73 ALDH1A1 (0.51) PKMKMT2ALMNAALDH1A1KDM4E
SCHEMBL16940595 0.69 KDM4E (0.74) KMT2ALMNAALDH1A1KDM4EATM
SCHEMBL12043118 0.68 ALDH1A1 (0.70) PKMKMT2ALMNAALDH1A1KDM4E
SCHEMBL12043094 0.65 KDM4E (0.85) KMT2ALMNAALDH1A1KDM4EATM

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
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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