SCHEMBL143891

SCHEMBL143891

O=C1c2c(ccc3ccccc23)-n2c1c(Br)c1ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 1/20 0.38
CES1 P23141 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
POLB P06746 1/20 0.34
IDO1 P14902 2/20 0.34
TDO2 P48775 2/20 0.34
IDO2 Q6ZQW0 2/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
NCEH1 Q6PIU2 3/20 0.33
WDR5 P61964 1/20 0.33
PAX8 Q06710 1/20 0.33
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 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
SCHEMBL143411 0.77 TDO2 (0.39) CYP1A2CYP2C9CYP2C19POLBIDO1
SCHEMBL143247 0.75 IDO1 (0.45) CES1POLBIDO1TDO2IDO2
SCHEMBL142587 0.75 KMT2A (0.40) TDP1RAB9ASMN1; SMN2HPGDHTT
SCHEMBL24051212 0.73 TDO2 (0.49) DNMT1IDO1TDO2IDO2RAB9A
SCHEMBL25725086 0.71 POLB (0.47) TDP1CYP1A2CYP2C9CYP2C19POLB
SCHEMBL140840 0.70 TDO2 (0.39) POLBIDO1TDO2IDO2CDK5
SCHEMBL143252 0.70 TDO2 (0.39) IDO1TDO2IDO2CDK5CDK5R1
SCHEMBL30884623 0.67 DNMT1 (0.40) DNMT1TDP1POLBRAB9ASMN1; SMN2
SCHEMBL155403 0.67 IDO1 (0.34) CYP2C19IDO1TDO2IDO2SMN1; SMN2
SCHEMBL143408 0.67 NTRK1 (0.40) HTTMEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940909-B2 Indicator platform BIOSYNTH AG (CH) 2015-01-27 US disclosed
US-8940909-B2 Indicator platform BIOSYNTH AG (CH) 2015-01-27 US disclosed
EP-2427431-B1 NOVEL INDICATOR PLATFORM BIOSYNTH AG (CH) 2013-05-01 EP disclosed
US-20120058503-A1 Novel Indicator Platform BIOSYNTH AG (CH) 2012-03-08 US disclosed
US-20120058503-A1 Novel Indicator Platform BIOSYNTH AG (CH) 2012-03-08 US disclosed
WO-2010128120-A1 NOVEL INDICATOR PLATFORM BIOSYNTH AG (CH) 2010-11-11 WO disclosed