SCHEMBL14602136

SCHEMBL14602136

CCOc1ccc2nc(N3CCCN(C(=O)Nc4ccccc4F)CC3)c(N)cc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.65
▸ KMT2A Q03164 2/20 0.65
▸ SMN1; SMN2 Q16637 2/20 0.65
▸ KDM4E B2RXH2 2/20 0.65
▸ ALDH1A1 P00352 2/20 0.65
▸ LMNA P02545 2/20 0.65
▸ TSHR P16473 1/20 0.65
▸ MAPK1 P28482 1/20 0.65
▸ CASP1 P29466 1/20 0.65
▸ CASP7 P55210 1/20 0.65
▸ ATM Q13315 1/20 0.65
▸ TDP1 Q9NUW8 1/20 0.65
▸ TRPV1 Q8NER1 1/20 0.44
▸ FAAH O00519 2/20 0.43
▸ MAPT P10636 2/20 0.42
▸ P2RY12 Q9H244 5/20 0.42
▸ CFTR P13569 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ HCAR2 Q8TDS4 1/20 0.42

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
SCHEMBL2525573 0.88 KDM4E (0.84) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL14601359 0.86 PKM (0.51) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL16940595 0.82 KDM4E (0.74) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL12043094 0.79 KDM4E (0.85) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL19495070 0.78 MEN1 (0.63) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL1445522 0.78 KDM4E (0.69) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL12043096 0.78 MEN1 (0.81) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL12043118 0.75 ALDH1A1 (0.70) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL12043114 0.74 KDM4E (0.64) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL14073368 0.74 KDM4E (0.64) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1

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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