SCHEMBL20022387

SCHEMBL20022387

Cn1c2ccccc2c2cc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(-c8ccc(-c9ccc(-c%10ccc(-c%11ccc(-c%12ccc%13c(c%12)c%12ccccc%12n%13C)s%11)c%11nsnc%10%11)s9)s8)c8nsnc78)s6)s5)c5nsnc45)s3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ KIF11 P52732 1/20 0.35
▸ NPY5R Q15761 1/20 0.35
▸ PABPC1 P11940 1/20 0.33
▸ PTGER4 P35408 1/20 0.33
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ PSEN1 P49768 1/20 0.32
▸ PSEN2 P49810 1/20 0.32
▸ APH1B Q8WW43 1/20 0.32
▸ NCSTN Q92542 1/20 0.32

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
SCHEMBL20022376 0.88 CNR2 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17125671 0.86 GPR3 (0.47) GPR3KDM4EMAPTHSD17B10ALDH1A1
SCHEMBL20022381 0.85 GPR3 (0.53) GPR3KDM4EMAPTHSD17B10ALDH1A1
SCHEMBL20022303 0.85 GPR3 (0.53) GPR3KDM4EMAPTHSD17B10ALDH1A1
SCHEMBL20022351 0.85 GPR3 (0.53) GPR3KDM4EMAPTHSD17B10ALDH1A1
SCHEMBL20022386 0.85 GPR3 (0.53) GPR3KDM4EMAPTHSD17B10ALDH1A1
SCHEMBL20021512 0.84 CNR2 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20021526 0.84 CNR2 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12418487 0.83 GPR3 (0.50) GPR3KDM4EMAPTHSD17B10ALDH1A1
SCHEMBL20021514 0.82 CNR2 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A

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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