SCHEMBL4436986

SCHEMBL4436986

ONc1cccc(Oc2ccc3cc(C#Cc4ccccc4)ccc3c2-c2c(Oc3cccc(NO)c3)ccc3cc(C#Cc4ccccc4)ccc23)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 2/20 0.39
GRM5 P41594 3/20 0.38
PTPN11 Q06124 1/20 0.36
KCNH2 Q12809 1/20 0.36
HAO1 Q9UJM8 5/20 0.35
STK10 O94804 1/20 0.33
SLK Q9H2G2 1/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP1B1 Q16678 1/20 0.33
EGFR P00533 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
KDR P35968 1/20 0.32
PLAU P00749 1/20 0.32
MITF O75030 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 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
SCHEMBL4436991 0.76 ASIC3 (0.41) ASIC3GRM5KCNH2CYP1A1CYP1A2
SCHEMBL2747566 0.76 ASIC3 (0.41) ASIC3GRM5KCNH2HAO1CYP1A1
SCHEMBL4436987 0.73 ESR1 (0.34) CYP1A2EGFR
SCHEMBL30536490 0.71 ASIC3 (0.44) ASIC3GRM5CYP1A1CYP1A2CYP1B1
SCHEMBL21858952 0.71 ASIC3 (0.44) ASIC3GRM5CYP1A1CYP1A2CYP1B1
SCHEMBL30536496 0.71 ASIC3 (0.44) ASIC3GRM5CYP1A1CYP1A2CYP1B1
SCHEMBL23965442 0.69 HNF4A (0.51) ASIC3GRM5CYP1A1CYP1A2CYP1B1
SCHEMBL23965441 0.67 IDO1 (0.45) ASIC3GRM5CYP1A1CYP1A2CYP1B1
SCHEMBL23986314 0.66 APP (0.41) ASIC3CYP1A1CYP1A2CYP1B1ALDH1A1
SCHEMBL23986705 0.64 FFAR1 (0.39) ASIC3GRM5ALDH1A1

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-7608928-B2 Laminated body and semiconductor device JSR CORPORATION (JP) 2009-10-27 US disclosed
US-20080044664-A1 Laminated Body and Semiconductor Drive JSR CORPORATION (JP) 2008-02-21 US disclosed
EP-1760774-A1 LAMINATED BODY AND SEMICONDUCTOR DEVICE JSR Corporation (JP) 2007-03-07 EP disclosed