SCHEMBL20022354

SCHEMBL20022354

Cn1c2ccccc2c2cc(-c3ccc(-c4ccc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7C#N)s5)s4)s3)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 1/20 0.42
▸ KDM4E B2RXH2 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ KIF11 P52732 1/20 0.38
▸ NPY5R Q15761 1/20 0.37
▸ PABPC1 P11940 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ SRC P12931 1/20 0.35
▸ RXRA P19793 1/20 0.34
▸ RXRB P28702 1/20 0.34
▸ BCHE P06276 2/20 0.33
▸ ACHE P22303 2/20 0.33
▸ NPC1 O15118 2/20 0.33

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
SCHEMBL20022351 0.89 GPR3 (0.53) GPR3KDM4EMAPTMEN1KMT2A
SCHEMBL20022386 0.89 GPR3 (0.53) GPR3KDM4EMAPTMEN1KMT2A
SCHEMBL20022381 0.89 GPR3 (0.53) GPR3KDM4EMAPTMEN1KMT2A
SCHEMBL20022303 0.89 GPR3 (0.53) GPR3KDM4EMAPTMEN1KMT2A
SCHEMBL12418487 0.86 GPR3 (0.50) GPR3KDM4EMAPTMEN1KMT2A
SCHEMBL13181224 0.80 KIF11 (0.50) GPR3KDM4EMAPTMEN1KMT2A
SCHEMBL20022349 0.80 GPR3 (0.46) GPR3KDM4EMAPTMEN1KMT2A
SCHEMBL8932254 0.79 GPR3 (0.48) GPR3KDM4EMAPTMEN1KMT2A
SCHEMBL20022387 0.76 GPR3 (0.39) GPR3KDM4EMAPTMEN1KMT2A
SCHEMBL20022384 0.75 GPR3 (0.41) GPR3KDM4EMAPTMEN1KMT2A

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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