SCHEMBL6430012

SCHEMBL6430012

Cc1cccc(C)c1N=C1CCCSC1=Nc1c(C)cccc1C

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.35
LMNA P02545 3/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
MAPT P10636 2/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 1/20 0.30
HSP90AA1 P07900 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL5588799 0.80 MEN1 (0.41) LMNACYP3A4CYP2D6TSHRRAB9A
SCHEMBL5588800 0.80 MEN1 (0.41) LMNACYP3A4CYP2D6TSHRRAB9A
SCHEMBL5588328 0.78 MEN1 (0.39) LMNACYP3A4CYP2D6TSHRRAB9A
SCHEMBL5589327 0.78 ATM (0.38) HPGDLMNATSHRMAPTHTT
SCHEMBL5589333 0.78 ATM (0.38) HPGDLMNATSHRMAPTHTT
SCHEMBL5588692 0.76 MEN1 (0.36) HPGDLMNATSHRMAPTHTT
SCHEMBL5590202 0.69 LMNA (0.34) HPGDLMNACYP3A4TSHRMAPT
SCHEMBL5590624 0.68 LMNA (0.33) HPGDLMNACYP3A4TSHRMAPT
SCHEMBL5589646 0.67 GABRA1 (0.34) HPGDLMNACYP3A4TSHRBLM
SCHEMBL7238485 0.67 L3MBTL1 (0.50) HPGDLMNARAB9AMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050090630-A1 Supported group 8-10 transition metal olefin polymerization catalysts EASTMAN CHEMICAL COMPANY (US) 2005-04-28 US disclosed
EP-1082362-A1 SUPPORTED GROUP 8-10 TRANSITION METAL OLEFIN POLYMERIZATION CATALYSTS EASTMAN CHEMICAL COMPANY (US) 2001-03-14 EP disclosed
WO-1999062968-A1 SUPPORTED GROUP 8-10 TRANSITION METAL OLEFIN POLYMERIZATION CATALYSTS EASTMAN CHEMICAL COMPANY (US) 1999-12-09 WO disclosed