SCHEMBL19495358

SCHEMBL19495358

CCOc1ccccc1NC(=O)N1CCCN(c2nc3cc(F)c(F)cc3cc2/C=N/C)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.54
▸ KMT2A Q03164 4/20 0.54
▸ ALDH1A1 P00352 3/20 0.51
▸ LMNA P02545 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ CASP1 P29466 1/20 0.51
▸ CASP7 P55210 1/20 0.51
▸ ATM Q13315 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ BLM P54132 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.43
▸ P2RY12 Q9H244 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ USP2 O75604 1/20 0.41
▸ PDGFRB P09619 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
SCHEMBL19495070 0.90 MEN1 (0.63) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL12043100 0.84 MEN1 (0.69) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL14073364 0.79 ALDH1A1 (0.70) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL19495014 0.76 KDM4E (0.58) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL12043094 0.75 KDM4E (0.85) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL14073362 0.73 KDM4E (0.70) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL14602136 0.73 MEN1 (0.65) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL2525573 0.71 KDM4E (0.84) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL16940595 0.67 KDM4E (0.74) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL12043096 0.67 MEN1 (0.81) MEN1KMT2AALDH1A1LMNAKDM4E

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
Send feedback