SCHEMBL3673315

SCHEMBL3673315

Nc1c(I)cccc1Cc1cccc(I)c1N

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.43
IDO1 P14902 2/20 0.41
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
HSPA5 P11021 1/20 0.33
GPR84 Q9NQS5 3/20 0.32
FFAR1 O14842 1/20 0.32
PDPK1 O15530 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
PNMT P11086 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
SCHEMBL1108358 0.78
SCHEMBL4217671 0.74 ADORA3 (0.35) IDO1
SCHEMBL3132841 0.74 CD44 (0.46) SLC6A2SLC6A4HSPA5GABRA1GABRB2
SCHEMBL3736038 0.73 PDE2A (0.39)
SCHEMBL5179417 0.71 TAAR1 (0.50) TAAR1IDO1SLC6A2SLC6A4HSPA5
SCHEMBL28845414 0.71 LMNA (0.43) SLC6A2SLC6A4
SCHEMBL4412822 0.70
SCHEMBL31366816 0.70
SCHEMBL23496022 0.70 CYP3A4 (0.43) SLC6A2SLC6A4HSPA5
SCHEMBL6756347 0.70 HSPA5 (0.33) HSPA5GABRA1GABRB2PNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1426392-B1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2010-02-24 EP disclosed
US-6960640-B2 Composition for optical material MITSUBISHI GAS CHEMICAL CO., LTD. (JP) 2005-11-01 US disclosed
US-20040147708-A1 Composition for optical material MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-07-29 US disclosed
EP-1426392-A1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-06-09 EP disclosed