SCHEMBL27683032

SCHEMBL27683032

COc1cccc(OC)c1CCN=C(N)c1cc2ccccc2[nH]1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 4/20 0.53
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PDGFRB P09619 2/20 0.41
PDGFRA P16234 2/20 0.41
GAA P10253 1/20 0.40
MAPK1 P28482 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
SCHEMBL3928751 0.88 FLT3 (0.52) FLT3KDM4EALDH1A1MEN1MAPT
SCHEMBL27682863 0.87 FLT3 (0.46) FLT3KDM4EALDH1A1HPGD
SCHEMBL27663289 0.86 MEN1 (0.46) FLT3MEN1RAB9AKMT2APDGFRB
SCHEMBL3924098 0.75 FLT3 (0.47) FLT3KDM4EALDH1A1HPGD
SCHEMBL3923816 0.75 PDGFRB (0.50) FLT3MEN1KMT2APDGFRBPDGFRA
SCHEMBL3935363 0.74 MEN1 (0.47) FLT3MEN1RAB9AKMT2A
SCHEMBL27683033 0.74 FLT3 (0.53) FLT3KDM4EALDH1A1MEN1MAPT
SCHEMBL3924069 0.71 GRIN1 (0.48) KDM4EPDGFRBPDGFRAGAA
SCHEMBL3928684 0.71 FLT3 (0.52) FLT3KDM4EALDH1A1MEN1MAPT
SCHEMBL6661201 0.71 FLT3 (0.58) FLT3KDM4EALDH1A1MEN1RAB9A

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
CN-1989103-A Indole-2-carboxamidine derivatives as NMDA receptor antagonists RICHTER GEDEON VEGYESZET (HU) 2007-06-27 CN claimed