SCHEMBL20022269

SCHEMBL20022269

Cn1c2ccccc2c2cc(-c3ccc(-c4ccc(-c5ccc6c(c5)C(C)(C)c5cc(-c7ccc(-c8ccc(-c9ccc%10[nH]c%11ccccc%11c%10c9)s8)s7)ccc5-6)s4)s3)ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 3/20 0.36
▸ MAPT P10636 3/20 0.34
▸ AHR P35869 2/20 0.34
▸ KDM4E B2RXH2 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ GPR3 P46089 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
▸ APH1A Q96BI3 1/20 0.32
▸ PSENEN Q9NZ42 1/20 0.32
▸ GABRP O00591 2/20 0.31
▸ GABRD O14764 2/20 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
SCHEMBL20022384 0.89 GPR3 (0.41) KIF11MAPTKDM4EMEN1ALDH1A1
SCHEMBL20022260 0.79 CNR2 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18058376 0.78 GPR3 (0.50) KIF11MAPTAHRKDM4EMEN1
SCHEMBL20022381 0.78 GPR3 (0.53) KIF11MAPTKDM4EMEN1ALDH1A1
SCHEMBL20022386 0.78 GPR3 (0.53) KIF11MAPTKDM4EMEN1ALDH1A1
SCHEMBL20022351 0.78 GPR3 (0.53) KIF11MAPTKDM4EMEN1ALDH1A1
SCHEMBL20022303 0.78 GPR3 (0.53) KIF11MAPTKDM4EMEN1ALDH1A1
SCHEMBL20021515 0.78 CNR2 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13443616 0.77 KDM4E (0.43) MAPTKDM4EALDH1A1KMT2AL3MBTL1
SCHEMBL25964147 0.77 GPR3 (0.48) KIF11MAPTAHRKDM4EMEN1

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
Send feedback