SCHEMBL142587

SCHEMBL142587

COc1cccc2c1C(=O)c1c(Br)c3ccccc3n1-2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
JAK2 O60674 2/20 0.39
BTK Q06187 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
NTRK1 P04629 2/20 0.38
KDM4E B2RXH2 2/20 0.37
METAP2 P50579 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
MGLL Q99685 1/20 0.37
USP2 O75604 1/20 0.36
DUSP3 P51452 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL143408 0.79 NTRK1 (0.40) KMT2AMEN1MAPTNTRK1HTT
SCHEMBL143891 0.75 DNMT1 (0.38) KMT2AMEN1MAPTALDH1A1RAB9A
SCHEMBL143247 0.74 IDO1 (0.45) KMT2AMAPTALDH1A1RAB9ANTRK1
SCHEMBL3404138 0.69 NTRK1 (0.46) KMT2AMEN1MAPTNTRK1KDM4E
SCHEMBL140840 0.69 TDO2 (0.39) KMT2AMEN1RAB9ASMN1; SMN2NTRK1
SCHEMBL28181208 0.68 MGLL (0.47) KMT2AMEN1MAPTALDH1A1L3MBTL1
SCHEMBL143411 0.67 TDO2 (0.39) KMT2AMEN1MAPTRAB9ABTK
SCHEMBL27872644 0.66 NFE2L2 (0.42) KMT2AMEN1MAPTALDH1A1RAB9A
SCHEMBL17212360 0.66 JAK2 (0.43) MAPTALDH1A1JAK2BTKL3MBTL1
SCHEMBL8476766 0.66 KDM4E (0.44) KMT2AMEN1MAPTALDH1A1RAB9A

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