SCHEMBL17736367

SCHEMBL17736367

Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.38
DHODH Q02127 1/20 0.37
KDM4E B2RXH2 3/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTT P42858 2/20 0.37
APP P05067 1/20 0.37
CYP2C9 P11712 1/20 0.37
AVPR1A P37288 1/20 0.36
MAPT P10636 2/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
GAA P10253 1/20 0.36
GFER P55789 1/20 0.36
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PPARG P37231 1/20 0.35
NCOA2 Q15596 1/20 0.35

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
SCHEMBL15504027 1.00 NLRP3 (0.38) NLRP3DHODHKDM4EATML3MBTL1
SCHEMBL16922599 1.00 NLRP3 (0.38) NLRP3DHODHKDM4EATML3MBTL1
SCHEMBL20812929 1.00 NLRP3 (0.38) NLRP3DHODHKDM4EATML3MBTL1
SCHEMBL13620174 0.99 APP (0.39) NLRP3DHODHKDM4EATML3MBTL1
SCHEMBL12704847 0.99 APP (0.39) NLRP3DHODHKDM4EATML3MBTL1
SCHEMBL17736372 0.99 CYP2C9 (0.39) NLRP3DHODHKDM4EATML3MBTL1
SCHEMBL17736383 0.97 APP (0.40) NLRP3DHODHKDM4EATML3MBTL1
SCHEMBL12704960 0.97 APP (0.40) NLRP3DHODHKDM4EATML3MBTL1
SCHEMBL20812900 0.96 TSPO (0.36) NLRP3DHODHKDM4EATML3MBTL1
SCHEMBL20812712 0.95 NLRP3 (0.35) NLRP3DHODHKDM4EATML3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9882134-B2 Polymer compound, material for organic electroluminescence element using same, and organic electroluminescence element IDEMITSU KOSAN CO., LTD. (JP) 2018-01-30 US disclosed
US-20160133842-A1 POLYMER COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME, AND ORGANIC ELECTROLUMINESCENCE ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2016-05-12 US disclosed