SCHEMBL22619366

SCHEMBL22619366

CC1=C(C2N(C)c3ccccc3N2C)CCC=C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.38
HTT P42858 1/20 0.37
LMNA P02545 2/20 0.36
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 3/20 0.33
GAA P10253 2/20 0.33
EGFR P00533 1/20 0.33
HPGD P15428 2/20 0.32
CASP1 P29466 2/20 0.32
HSD17B10 Q99714 2/20 0.32
TSHR P16473 2/20 0.31
GLA P06280 1/20 0.31
CASP7 P55210 1/20 0.31
PTPN2 P17706 1/20 0.31
PTPN1 P18031 1/20 0.31
PDE5A O76074 2/20 0.31
PRKCB P05771 1/20 0.31
CYP1A1 P04798 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP1B1 Q16678 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
SCHEMBL22619303 0.72 PDGFRB (0.45) PDGFRBHTTLMNAKDM4EPTPN2
SCHEMBL21921297 0.71 HTT (0.32) PDGFRBHTTLMNA
SCHEMBL20146376 0.68 HTT (0.32) PDGFRBHTTLMNA
SCHEMBL12849795 0.65 ACHE (0.35) EGFR
SCHEMBL30541821 0.64 PDGFRB (0.73) PDGFRBHTTLMNAKDM4EALDH1A1
SCHEMBL21250753 0.62 PDGFRB (0.46) PDGFRBHTTLMNAKDM4EALDH1A1
SCHEMBL993337 0.62 PDGFRB (0.64) PDGFRBHTTLMNAKDM4EALDH1A1
SCHEMBL29403090 0.62 PDGFRB (0.64) PDGFRBHTTLMNAKDM4EALDH1A1
SCHEMBL21891259 0.62 PDGFRB (0.63) PDGFRBHTTLMNAKDM4EALDH1A1
SCHEMBL31067335 0.61 BRPF1 (0.33) HTTLMNAALDH1A1HSD17B10TSHR

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-3351523-B1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME LG CHEMICAL LTD (KR) 2020-11-04 EP disclosed