SCHEMBL7780960

SCHEMBL7780960

CNCCN(C)CCCN(C)CCNC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 2/20 0.55
PRMT3 O60678 1/20 0.55
CARM1 Q86X55 1/20 0.55
PRMT6 Q96LA8 1/20 0.55
PRMT8 Q9NR22 1/20 0.55
SIGMAR1 Q99720 2/20 0.41
CHRM2 P08172 1/20 0.38
S1PR2 O95136 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
S1PR5 Q9H228 1/20 0.35
EPHX1 P07099 1/20 0.33
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 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
SCHEMBL12571520 0.92 PRMT1 (0.62) PRMT1PRMT3CARM1PRMT6PRMT8
SCHEMBL11441189 0.92 PRMT1 (0.52) PRMT1PRMT3CARM1PRMT6PRMT8
SCHEMBL1697723 0.91 PRMT1 (0.65) PRMT1PRMT3CARM1PRMT6PRMT8
SCHEMBL17804601 0.90 PRMT3 (0.46) PRMT1PRMT3CARM1PRMT6PRMT8
SCHEMBL27368885 0.89 PRMT1 (0.50) PRMT1PRMT3CARM1PRMT6PRMT8
SCHEMBL10045279 0.88 PRMT3 (0.48) PRMT1PRMT3CARM1PRMT6PRMT8
SCHEMBL25672389 0.88 CHRM2 (0.46) PRMT1PRMT3CARM1PRMT6PRMT8
SCHEMBL7179758 0.88 PRMT1 (0.61) PRMT1PRMT3CARM1PRMT6PRMT8
SCHEMBL12015991 0.87 PRMT3 (0.48) PRMT1PRMT3CARM1PRMT6PRMT8
SCHEMBL29111926 0.87 PRMT1 (0.48) PRMT1PRMT3CARM1PRMT6PRMT8

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-0688314-B1 PRODRUG DERIVATIVES OF ENZYME INHIBITORS WITH HYDROXYL GROUPS, METHODS OF PREPARING THEM AND THEIR USE HOECHST AG (DE) 2001-10-04 EP disclosed
US-5804559-A WATER SOLUBILITY HOECHST AKTIENGESELLSCHAFT (DE) 1998-09-08 US disclosed
EP-0688314-A1 PRODRUG DERIVATIVES OF ENZYME INHIBITORS WITH HYDROXYL GROUPS, METHODS OF PREPARING THEM AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1995-12-27 EP disclosed
WO-1994021604-A1 PRODRUG DERIVATIVES OF ENZYME INHIBITORS WITH HYDROXYL GROUPS, METHODS OF PREPARING THEM AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1994-09-29 WO disclosed