SCHEMBL20171940

SCHEMBL20171940

O=NC(=O)/C(=C/C(=O)C1(Cc2ccc(Cl)cc2)CCCN(Cc2ccccc2)C1)N=O

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 6/20 0.43
DRD2 P14416 2/20 0.43
DRD4 P21917 2/20 0.43
DRD3 P35462 2/20 0.43
MEN1 O00255 2/20 0.43
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.42
POLB P06746 2/20 0.42
CYP2D6 P10635 3/20 0.41
CYP3A4 P08684 2/20 0.40
USP2 O75604 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL2463018 0.85 KDM4E (0.51) KDM4EGAAKMT2AALDH1A1DRD2
SCHEMBL2462081 0.85 KDM4E (0.51) KDM4EGAAKMT2AALDH1A1DRD2
SCHEMBL8876235 0.79 KDM4E (0.58) KDM4EGAAKMT2AALDH1A1DRD2
Hydrochloric Acid SCHEMBL8876539 0.75 KDM4E (0.51) KDM4EGAAKMT2AALDH1A1MEN1
SCHEMBL29658280 0.72 DRD2 (0.56) KDM4EGAAKMT2AALDH1A1DRD2
Hydrochloric Acid SCHEMBL29461349 0.71 DRD2 (0.55) KDM4EGAAKMT2AALDH1A1DRD2
Hydrochloric Acid SCHEMBL29461356 0.71 DRD2 (0.55) KDM4EGAAKMT2AALDH1A1DRD2
SCHEMBL12333837 0.70 RECQL (0.44) KDM4EKMT2AALDH1A1MEN1POLB
SCHEMBL24249397 0.69 HSD11B1 (0.46) GAAKMT2AALDH1A1MEN1PKM
SCHEMBL19862764 0.69 KMT2A (0.41) KDM4EGAAKMT2AALDH1A1DRD2

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-2547696-B1 FRAGMENTS OF THE PA SUBUNIT OF RNA DEPENDENT RNA POLYMERASE FROM PANDEMIC INFLUENZA VIRUS A 2009 H1N1, AND THEIR USE EUROPEAN MOLECULAR BIOLOGY LABORATORY EMBL (DE) 2018-05-23 EP disclosed