SCHEMBL7809585

SCHEMBL7809585

CC1=Cc2c(cccc2-c2ccccc2)[C]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
ALDH1A1 P00352 3/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP2A6 P11509 2/20 0.33
HPGD P15428 1/20 0.33
BCL2L1 Q07817 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SCN8A Q9UQD0 1/20 0.33
CYP2B6 P20813 1/20 0.33
MAPK1 P28482 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
HTR7 P34969 2/20 0.32
MAP4K4 O95819 1/20 0.32
CSF1R P07333 1/20 0.32
FGFR1 P11362 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
SCHEMBL7940286 0.68 GABRA1 (0.39) HPGD
SCHEMBL25785668 0.65 PDCD1 (0.64) PDCD1CD274ALDH1A1HSD17B10CYP2A6
SCHEMBL5085740 0.65 TSHR (0.35)
SCHEMBL1827132 0.64 PDCD1 (0.39) PDCD1CD274ALDH1A1HSD17B10CYP2A6
SCHEMBL7940277 0.64 CYP2A6 (0.41) ALDH1A1HSD17B10CYP2A6HPGDMAPK1
SCHEMBL60836 0.64 PDCD1 (0.39) PDCD1CD274ALDH1A1HSD17B10CYP2A6
SCHEMBL2048988 0.64 ALDH1A1 (0.46) PDCD1CD274ALDH1A1HSD17B10CYP2A6
SCHEMBL7863648 0.63 PDCD1 (0.38) PDCD1CD274ALDH1A1HSD17B10CYP2A6
Lithium SCHEMBL6324236 0.63 PDCD1 (0.38) PDCD1CD274ALDH1A1HSD17B10CYP2A6
SCHEMBL20548534 0.63 PDCD1 (0.38) PDCD1CD274ALDH1A1HSD17B10CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6262197-B1 AS POLYMERIZATION CATALYST IN OLEFIN POLYMERIZATION TARGOR GMBH (DE) 2001-07-17 US claimed
US-6262197-B1 AS POLYMERIZATION CATALYST IN OLEFIN POLYMERIZATION TARGOR GMBH (DE) 2001-07-17 US disclosed
US-20010007009-A1 Transition metal catalyzed polymerization of olefinic monomers in a water-containing polymerization medium BASF AKTIENGESELLSCHAFT (DE) 2001-07-05 US disclosed
EP-1110977-A1 Transition metal-catalyzed polymerisation of olefinic monomers in aqueous polymeric medium BASF AKTIENGESELLSCHAFT (DE) 2001-06-27 EP disclosed
US-6114556-A Metallocene compound and its use as catalyst component TARGOR GMBH (DE) 2000-09-05 US disclosed
US-5962359-A Metallocene compound and its use as catalyst component TARGOR GMBH (DE) 1999-10-05 US disclosed
EP-0739897-A1 Polynuclear metallocene compound, process for preparing it and its use as catalyst HOECHST AKTIENGESELLSCHAFT (DE) 1996-10-30 EP disclosed
EP-0723971-A2 Metallocenes and their use as catalyst component HOECHST AKTIENGESELLSCHAFT (DE) 1996-07-31 EP disclosed