SCHEMBL6200098

SCHEMBL6200098

COC(=O)C1=CN(C(=O)NCCCBr)C(=O)NC1C

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL6218042 0.62 NAMPT (0.32) SMN1; SMN2
SCHEMBL13434516 0.58
SCHEMBL6728386 0.55
SCHEMBL1164166 0.54
SCHEMBL5579337 0.53 BCHE (0.45) SMN1; SMN2TDP1
SCHEMBL7434 0.53 TDP1 (0.65) GAATDP1
SCHEMBL15984341 0.52 GAA (0.47) KDM4EALDH1A1GLAGAATDP1
SCHEMBL32662880 0.52 KDM4E (0.56) KDM4EALDH1A1GLAGAATDP1
SCHEMBL6454357 0.52 EPHX1 (0.67) KDM4ETDP1
SCHEMBL10701200 0.52 MAPT (0.37) KDM4EALDH1A1GLAGAATDP1

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-1021185-A4 DIDHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMA CORP (US) 2005-09-07 EP disclosed
EP-1021185-A1 DIDHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-07-26 EP disclosed
WO-1998051311-A2 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1998-11-19 WO disclosed
WO-1997042956-A1 DIDHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-11-20 WO disclosed