Sugi Predict

Sugi Predict / Compounds / SCHEMBL728847

SCHEMBL728847

SCHEMBL728847

CCCCCCCCCc1c(CCCCCCCC)c(-c2ccc(Br)cc2)c2c(c1-c1ccc(Br)cc1)-c1cccc3cccc-2c13

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36
▸ GCGR P47871 11/20 0.36
▸ DHFR P00374 1/20 0.34
▸ ADK P55263 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CNR1 P21554 1/20 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
SCHEMBL728651 0.88 RAB9A (0.41) NPC1NFKB1MAPK1RAB9ANFKB2
SCHEMBL2138799 0.87 GCGR (0.47) KCNH2TDP1GCGRDHFRMAPK1
SCHEMBL2784607 0.81 DCTPP1 (0.43) TDP1GCGRDHFRMAPK1RAB9A
SCHEMBL732541 0.79 GCGR (0.37) KCNH2TDP1GCGRDHFRCNR1
SCHEMBL24067833 0.74 GCGR (0.39) GCGRDHFRADKSMN1; SMN2
SCHEMBL728300 0.73 ALDH1A1 (0.50) TDP1GCGRNPC1NFKB1MAPK1
SCHEMBL13510738 0.71 ALDH1A1 (0.43) TDP1NPC1MAPK1SMN1; SMN2L3MBTL1
SCHEMBL87415 0.71 ELANE (0.44) KCNH2TDP1MAPK1L3MBTL1CNR1
SCHEMBL1023271 0.69 TDP1 (0.47) KCNH2TDP1MAPK1L3MBTL1CNR1
SCHEMBL13085133 0.69 ALDH1A1 (0.45) TDP1NPC1NFKB1MAPK1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8137822-B2 Synthesis of phenyl-substituted polyfluoroanthenes and the use thereof BASF AKTIENGESELLSCHAFT (DE) 2012-03-20 — — US disclosed
US-8137822-B2 Synthesis of phenyl-substituted polyfluoroanthenes and the use thereof BASF AKTIENGESELLSCHAFT (DE) 2012-03-20 — — US disclosed
EP-1877518-B1 SYNTHESIS OF PHENYL-SUBSTITUTED POLYFLUOROANTHENES AND THE USE THEREOF BASF SE (DE) 2010-02-24 — — EP disclosed
US-20080213623-A1 7,10-bis(acryloyl, styryl, or glycidyl-substituted phenyl)fluoranthene polymerized in the presence of a nickel or palladium catalyst; photopolymerized after applied to film substrate for organic light-emitting diodes; improved stability, high efficiency and quantum yield, emission maximum in blue region BASF AKTIENGESELLSCHAFT (DE) 2008-09-04 — — US disclosed
US-20080213623-A1 7,10-bis(acryloyl, styryl, or glycidyl-substituted phenyl)fluoranthene polymerized in the presence of a nickel or palladium catalyst; photopolymerized after applied to film substrate for organic light-emitting diodes; improved stability, high efficiency and quantum yield, emission maximum in blue region BASF AKTIENGESELLSCHAFT (DE) 2008-09-04 — — US disclosed
EP-1877518-A1 SYNTHESIS OF PHENYL-SUBSTITUTED POLYFLUOROANTHENES AND THE USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 2008-01-16 — — EP disclosed
US-20070287821-A1 Synthesis of Polynaphthalenes and Their Use BASF AKTIENGESELLSCHAFT (DE) 2007-12-13 — — US disclosed
EP-1791889-A1 SYNTHESIS OF POLYNAPHTHALENES AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 2007-06-06 — — EP disclosed
WO-2006114364-A1 SYNTHESIS OF PHENYL-SUBSTITUTED POLYFLUOROANTHENES AND THE USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 2006-11-02 — — WO disclosed
WO-2006027191-A1 SYNTHESIS OF POLYNAPHTHALENES AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 2006-03-16 — — WO disclosed