SCHEMBL17848972

SCHEMBL17848972

CCCCN(CCNC(=O)O)CCNC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
KDM5A P29375 4/20 0.47
PHF8 Q9UPP1 2/20 0.45
KDM4C Q9H3R0 2/20 0.45
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA9 Q16790 2/20 0.42
DNM1 Q05193 1/20 0.42
EPHX1 P07099 3/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
ICMT O60725 1/20 0.38
ALB P02768 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
SCHEMBL4157740 1.00 ALDH1A1 (0.49) ALDH1A1KMT2ALMNAKDM4EMEN1
SCHEMBL28163980 0.92 KDM5A (0.50) ALDH1A1KMT2ALMNAKDM4EMEN1
SCHEMBL18074396 0.92 KDM5A (0.47) ALDH1A1KMT2ALMNAKDM4EMEN1
SCHEMBL7617282 0.92 KDM5A (0.47) ALDH1A1KMT2ALMNAKDM4EMEN1
SCHEMBL2461091 0.87 DRD2 (0.41) ALDH1A1KMT2ALMNAKDM4EMEN1
SCHEMBL11700565 0.85 KDM5A (0.47) ALDH1A1LMNAKDM5APHF8KDM4C
SCHEMBL15552357 0.84 CA12 (0.44) ALDH1A1KMT2ALMNAKDM4EMEN1
SCHEMBL20589935 0.84 EPHX1 (0.55) KDM5APHF8KDM4CDNM1EPHX1
SCHEMBL11146017 0.83 DRD2 (0.49) ALDH1A1KDM4EKDM5APHF8KDM4C
SCHEMBL10937049 0.83 PAOX (0.48) ALDH1A1KMT2ALMNAKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3468619-A1 RADIO-PHARMACEUTICAL COMPLEXES Bayer Pharma Aktiengesellschaft (DE) 2019-04-17 EP disclosed
EP-3432936-A1 RADIO-PHARMACEUTICAL COMPLEXES Bayer Pharma Aktiengesellschaft (DE) 2019-01-30 EP disclosed
WO-2017211809-A1 RADIO-PHARMACEUTICAL COMPLEXES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-12-14 WO disclosed
EP-3233137-A1 RADIO-PHARMACEUTICAL COMPLEXES Bayer AS (NO) 2017-10-25 EP disclosed
WO-2017162555-A1 RADIO-PHARMACEUTICAL COMPLEXES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-28 WO disclosed
WO-2016096843-A1 RADIO-PHARMACEUTICAL COMPLEXES BAYER AS (NO) 2016-06-23 WO disclosed