SCHEMBL20022384

SCHEMBL20022384

Cn1c2ccccc2c2cc(-c3ccc(-c4ccc5c(c4)C(C)(C)c4cc(-c6ccc(-c7ccc8c(c7)c7ccccc7n8C)s6)ccc4-5)s3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 1/20 0.41
▸ MAPT P10636 3/20 0.41
▸ KDM4E B2RXH2 4/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ HPGD P15428 3/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KIF11 P52732 1/20 0.37
▸ NPY5R Q15761 1/20 0.36
▸ RXRA P19793 1/20 0.36
▸ RXRB P28702 1/20 0.36
▸ PSEN1 P49768 2/20 0.36
▸ PSEN2 P49810 2/20 0.36
▸ APH1B Q8WW43 2/20 0.36
▸ NCSTN Q92542 2/20 0.36
▸ APH1A Q96BI3 2/20 0.36
▸ PSENEN Q9NZ42 2/20 0.36

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
SCHEMBL20022269 0.89 KIF11 (0.36) GPR3MAPTKDM4EHSD17B10ALDH1A1
SCHEMBL13443616 0.86 KDM4E (0.43) MAPTKDM4EALDH1A1KMT2AL3MBTL1
SCHEMBL13433076 0.85 GPR3 (0.44) GPR3MAPTKDM4EHSD17B10ALDH1A1
SCHEMBL20022351 0.85 GPR3 (0.53) GPR3MAPTKDM4EHSD17B10ALDH1A1
SCHEMBL20022381 0.85 GPR3 (0.53) GPR3MAPTKDM4EHSD17B10ALDH1A1
SCHEMBL20022386 0.85 GPR3 (0.53) GPR3MAPTKDM4EHSD17B10ALDH1A1
SCHEMBL20022303 0.85 GPR3 (0.53) GPR3MAPTKDM4EHSD17B10ALDH1A1
SCHEMBL13443622 0.83 PRF1 (0.32) MAPTKDM4EL3MBTL1PRF1
SCHEMBL13443621 0.83 PRF1 (0.32) KDM4EL3MBTL1PRF1
SCHEMBL13443623 0.83 PDK2 (0.34) MAPTKDM4EALDH1A1HTTL3MBTL1

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
US-20180094192-A1 POLYMER NETWORKS UNIVERSITY OF HULL (GB) 2018-04-05 — — US disclosed
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