SCHEMBL1505097

SCHEMBL1505097

COCCOc1ccc(F)cc1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.47
LMNA P02545 3/20 0.47
KMT2A Q03164 2/20 0.46
JAK2 O60674 1/20 0.46
NTRK1 P04629 1/20 0.46
MEN1 O00255 1/20 0.46
NR1I2 O75469 1/20 0.46
CHRM2 P08172 1/20 0.46
CYP3A4 P08684 1/20 0.46
ADRA2A P08913 1/20 0.46
MAPT P10636 1/20 0.46
OPRK1 P41145 1/20 0.46
HTR2B P41595 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
AXL P30530 1/20 0.45
PARP1 P09874 2/20 0.44
KDM4E B2RXH2 3/20 0.42
HPGD P15428 1/20 0.42
CHEK1 O14757 1/20 0.41

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
SCHEMBL7959110 0.86 MAPT (0.54) HTTLMNAKMT2AMEN1NR1I2
SCHEMBL1505106 0.86 ALDH1A1 (0.49) HTTLMNAKMT2AKDM4EHPGD
SCHEMBL25399393 0.83 LMNA (0.47) HTTLMNAKMT2AMEN1NR1I2
SCHEMBL31565683 0.83 MAPK1 (0.50) HTTLMNAKMT2AMEN1NR1I2
SCHEMBL12505380 0.82 LMNA (0.48) LMNAKMT2AMEN1MAPTHTR2B
SCHEMBL23835432 0.81 LMNA (0.67) HTTLMNAKMT2AMEN1NR1I2
SCHEMBL1327202 0.80 PIN1 (0.50) HTTLMNAKMT2AMEN1CYP3A4
SCHEMBL29406733 0.80 PIN1 (0.50) HTTLMNAKMT2AMEN1CYP3A4
Hydrochloric Acid SCHEMBL31328997 0.79 PIN1 (0.49) HTTLMNAKMT2AMEN1CYP3A4
SCHEMBL8334827 0.78 PTGDR2 (0.46) HTTLMNAKMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011027156-A1 BENZODIAZEPINE DERIVATIVES FOR TREATING HEPATITIS C INFECTION ARROW THERAPEUTICS LIMITED (GB) 2011-03-10 WO disclosed