SCHEMBL13985188

SCHEMBL13985188

CC(C)c1cccc(C(C)C)c1/N=C(/Cl)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
KMT2A Q03164 1/20 0.47
GABRA1 P14867 4/20 0.41
GABRB2 P47870 2/20 0.41
GABRB1 P18505 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
FAAH O00519 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2C P28335 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
HTR2B P41595 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
SCHEMBL12920773 1.00 LMNA (0.47) LMNAKMT2AGABRA1GABRB2GABRB1
SCHEMBL4840636 1.00 LMNA (0.47) LMNAKMT2AGABRA1GABRB2GABRB1
SCHEMBL4112402 0.81 LMNA (0.50) LMNAKMT2AGABRA1GABRB2GABRB1
SCHEMBL18489441 0.81 LMNA (0.50) LMNAKMT2AGABRA1GABRB2GABRB1
SCHEMBL4112405 0.81 LMNA (0.50) LMNAKMT2AGABRA1GABRB2GABRB1
SCHEMBL1069876 0.80 LMNA (0.49) LMNAKMT2AGABRA1GABRB2GABRB1
SCHEMBL1069879 0.80 LMNA (0.49) LMNAKMT2AGABRA1GABRB2GABRB1
SCHEMBL12463793 0.79 KMT2A (0.50) LMNAKMT2AGABRA1GABRB2GABRB1
SCHEMBL2155169 0.79 KMT2A (0.50) LMNAKMT2AGABRA1GABRB2GABRB1
SCHEMBL18543895 0.77 LMNA (0.50) LMNAKMT2AGABRA1GABRB2GABRB1

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
EP-1997834-A1 Catalysts Borealis Technology Oy (FI) 2008-12-03 EP disclosed