SCHEMBL9524147

SCHEMBL9524147

O=C(NCCOc1cccc2ccccc12)OCCN(C(=O)c1cncc(I)c1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGD P15428 3/20 0.44
KMT2A Q03164 2/20 0.37
HTR1B P28222 6/20 0.36
HTR1D P28221 2/20 0.36
ATM Q13315 1/20 0.36
HRH4 Q9H3N8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
SLC6A4 P31645 1/20 0.35
HRH1 P35367 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
SIRT3 Q9NTG7 1/20 0.35
MAPK1 P28482 1/20 0.35
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL9525255 0.90 KDM4E (0.44) KDM4EALDH1A1HPGDKMT2AHTR1B
SCHEMBL9524584 0.87 KDM4E (0.41) KDM4EALDH1A1HPGDKMT2AHTR1B
Hydrochloric Acid SCHEMBL9525167 0.82 KDM4E (0.42) KDM4EALDH1A1HPGDKMT2AHTR1B
Iodide SCHEMBL9528125 0.82 KDM4E (0.42) KDM4EALDH1A1HPGDKMT2AHTR1B
SCHEMBL9525095 0.80 CFTR (0.42) KDM4EALDH1A1HPGDKMT2AHTR1B
SCHEMBL10401410 0.79 LMNA (0.47) KDM4EALDH1A1HPGDKMT2ALMNA
SCHEMBL9525232 0.78 KDM4E (0.44) KDM4EALDH1A1HPGDKMT2AHTR1B
SCHEMBL9523896 0.77 KDM4E (0.43) KDM4EALDH1A1HPGDKMT2AHTR1B
SCHEMBL9524400 0.76 ALDH1A1 (0.41) KDM4EALDH1A1HPGDLMNANPC1
Iodide SCHEMBL9523929 0.75 KDM4E (0.41) KDM4EALDH1A1HPGDKMT2AHTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0301751-B1 PYRIDINIUM DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1993-03-10 EP disclosed
US-4962113-A PLATELET ACTIVATING FACTOR ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD (JP) 1990-10-09 US disclosed
US-4906772-A Process for production of polycarboxylic aromatic acids AMOCO CORPORATION (US) 1990-03-06 US disclosed
EP-0301751-A1 Pyridinium derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1989-02-01 EP disclosed