SCHEMBL2957239

SCHEMBL2957239

Cc1c(Cl)c(C(F)(F)F)cc(Cl)c1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 10/20 0.38
RAPGEF4 Q8WZA2 1/20 0.34
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
P2RX7 Q99572 1/20 0.32
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD11B1 P28845 3/20 0.31
HTR3A P46098 2/20 0.31
CYP1A2 P05177 1/20 0.31
CHRNB2 P17787 1/20 0.31
CYP2B6 P20813 1/20 0.31
MAOA P21397 1/20 0.31
CHRNA4 P43681 1/20 0.31
IDO1 P14902 1/20 0.31
HTR3E A5X5Y0 1/20 0.31
HTR3B O95264 1/20 0.31
HTR3D Q70Z44 1/20 0.31
HTR3C Q8WXA8 1/20 0.31

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
SCHEMBL7855792 0.80 TP53 (0.36) NOTUMRAPGEF4CYP2C9CYP2C19P2RX7
SCHEMBL11602314 0.77 NOTUM (0.40) NOTUMHTR3AIDO1HTR3EHTR3B
SCHEMBL28785582 0.75 P2RX7 (0.33) NOTUMRAPGEF4CYP2C9CYP2C19P2RX7
SCHEMBL29702062 0.75 P2RX7 (0.33) NOTUMRAPGEF4CYP2C9CYP2C19P2RX7
SCHEMBL1263100 0.75 IDO1 (0.37) NOTUMRAPGEF4HTR3AIDO1HTR3E
SCHEMBL3379043 0.72 NOTUM (0.39) NOTUMHTR3AIDO1HTR3EHTR3B
SCHEMBL7894304 0.72 TP53 (0.34) NOTUMRAPGEF4CYP2C9CYP2C19P2RX7
SCHEMBL9723067 0.72 RAPGEF4 (0.33) NOTUMRAPGEF4CYP2C9CYP2C19P2RX7
SCHEMBL15517270 0.72 RAPGEF4 (0.42) NOTUMRAPGEF4CYP2C9CYP2C19P2RX7
SCHEMBL1768795 0.72 CYP3A4 (0.50) NOTUMHTR3AIDO1HTR3EHTR3B

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