SCHEMBL2966448

SCHEMBL2966448

FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1cccc(C(Br)Br)c1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.36
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
ACP3 P15309 2/20 0.33
CES2 O00748 1/20 0.33
LMNA P02545 1/20 0.31
DAO P14920 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
SCHEMBL447019 0.85 PNMT (0.40) PNMTIDO1TDO2ACP3CES2
SCHEMBL18242630 0.81 DAO (0.38) PNMTIDO1TDO2ACP3CES2
SCHEMBL21367600 0.79 PGK1 (0.40) IDO1CES2LMNA
SCHEMBL18242496 0.79 DAO (0.36) PNMTIDO1TDO2ACP3CES2
SCHEMBL18242982 0.78 MEN1 (0.36) PNMTIDO1TDO2ACP3CES2
SCHEMBL30705300 0.77 PNMT (0.55) PNMTIDO1TDO2ACP3CES2
SCHEMBL474177 0.77 PNMT (0.55) PNMTIDO1TDO2ACP3CES2
SCHEMBL18242310 0.76 DAO (0.38) PNMTIDO1TDO2ACP3CES2
SCHEMBL18242940 0.75 EPHX1 (0.39) PNMTACP3CES2DAO
SCHEMBL7966485 0.74 KCNN4 (0.43) CES2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8298830-B2 Organic materials able to detect analytes MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-10-30 US disclosed
US-20100310424-A1 ORGANIC MATERIALS ABLE TO DETECT ANALYTES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-12-09 US disclosed
US-7759127-B2 Organic materials able to detect analytes MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-07-20 US disclosed
US-7700366-B2 Fluorescent, semi-conductive polymers, and devices comprising them MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-04-20 US disclosed
US-20060073607-A1 Organic materials able to detect analytes MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2006-04-06 US disclosed
US-20050196775-A1 Fluorescent, semi-conductive polymers, and devices comprising them MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2005-09-08 US disclosed
WO-2005073338-A2 FLUORESCENT, SEMI-CONDUCTIVE POLYMERS, AND DEVICES COMPRISING THEM MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2005-08-11 WO disclosed