SCHEMBL16709709

SCHEMBL16709709

C=Cc1ccc(Sc2ccc3ccccc3c2)cc1Sc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
PKM P14618 2/20 0.40
MAPK1 P28482 2/20 0.40
MCL1 Q07820 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
MAOA P21397 3/20 0.36
MAOB P27338 3/20 0.36
MAP2K2 P36507 2/20 0.36
MAP2K1 Q02750 2/20 0.36
HAO1 Q9UJM8 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
SIRT3 Q9NTG7 1/20 0.35
RHEB Q15382 1/20 0.34
ABL1 P00519 1/20 0.33
PTGER3 P43115 1/20 0.33

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
SCHEMBL16709659 1.00 LMNA (0.40) LMNAKMT2AKDM4EMAPTPKM
SCHEMBL16709697 0.95 LMNA (0.41) LMNAKMT2AKDM4EMAPTPKM
SCHEMBL16709696 0.92 MAOA (0.41) LMNAKMT2AKDM4EMAPTMAPK1
SCHEMBL3684095 0.83 PTGER3 (0.43) LMNAKMT2AKDM4EMAPTPKM
SCHEMBL3281214 0.79 LMNA (0.52) LMNAKMT2AKDM4EMAPTPKM
SCHEMBL16709764 0.79 LMNA (0.41) LMNAKMT2AKDM4EMAPTPKM
SCHEMBL16709761 0.76 SMN1; SMN2 (0.44) LMNAKMT2AKDM4EMAPTPKM
SCHEMBL2575108 0.74 ALDH1A1 (0.41) LMNAKMT2AKDM4EMAPTMAPK1
SCHEMBL7708311 0.73 MAOA (0.48) LMNAKMT2AKDM4EMAPTPKM
SCHEMBL761802 0.73 LMNA (0.57) LMNAKMT2AKDM4EMAPTPKM

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-2015068839-A1 POLYMERIZABLE COMPOUND, RESIN COMPOSITION USING SAME, CURED RESIN, AND OPTICAL MATERIAL 新日鉄住金化学株式会社 2015-05-14 WO disclosed