SCHEMBL21921297

SCHEMBL21921297

CC1=NC2=C(C=CCC2)C2N(C)c3ccccc3N12

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.32
PDGFRB P09619 1/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL20146376 0.75 HTT (0.32) HTTPDGFRBLMNA
SCHEMBL22619366 0.71 PDGFRB (0.38) HTTPDGFRBLMNA
SCHEMBL22619303 0.71 PDGFRB (0.45) HTTPDGFRBLMNA
SCHEMBL18659117 0.69 NSD2 (0.39) HTTPDGFRBLMNA
SCHEMBL18058207 0.66 HTT (0.31) HTTPDGFRB
SCHEMBL26284158 0.59 GAA (0.41) HTTPDGFRBLMNA
SCHEMBL17995385 0.59
SCHEMBL21912879 0.57 PDGFRB (0.41) HTTPDGFRBLMNA
SCHEMBL30541821 0.57 PDGFRB (0.73) HTTPDGFRBLMNA
SCHEMBL18273728 0.57 CHRM2 (0.41)

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-3321246-B1 DOUBLE SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEMICAL LTD (KR) 2020-04-15 EP disclosed