SCHEMBL4058771

SCHEMBL4058771

CN1C(=O)NCC1CCCN

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RAD52 P43351 2/20 0.39
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.34
PIM1 P11309 3/20 0.32
PIM2 Q9P1W9 3/20 0.32
P2RX7 Q99572 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 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
SCHEMBL15066985 0.89 GLA (0.34) GLATDP1RAD52POLBPIM1
SCHEMBL2037197 0.82 P2RX7 (0.32) P2RX7
SCHEMBL11710462 0.77 P2RX7 (0.34) P2RX7
SCHEMBL17165118 0.77 IDO1 (0.31) P2RX7
SCHEMBL20585233 0.72
SCHEMBL4654585 0.70 CYP3A4 (0.46) TDP1MAPK1MEN1ALDH1A1KMT2A
SCHEMBL10196444 0.69 SYK (0.38) P2RX7
SCHEMBL29067818 0.69 MAPT (0.39) GLATDP1P2RX7MEN1KMT2A
SCHEMBL29067826 0.69 MAPT (0.39) GLATDP1P2RX7MEN1KMT2A
SCHEMBL29067822 0.69 MAPT (0.39) GLATDP1P2RX7MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2798020-A2 AQUEOUS PIGMENT DISPERSIONS BASED ON POLYURETHANE DISPERSANTS HAVING COMPONENTS TO INTERACT WITH CELLULOSE E. I. Du Pont de Nemours and Company (US) 2014-11-05 EP disclosed
WO-2013098652-A2 AQUEOUS PIGMENT DISPERSIONS BASED ON POLYURETHANE DISPERSANTS HAVING COMPONENTS TO INTERACT WITH CELLULOSE E. I. DU PONT DE NEMOURS AND COMPANY (US) 2013-07-04 WO disclosed
WO-2009122180-A1 PYRIMIDINE DERIVATIVES CAPABLE OF INHIBITING ONE OR MORE KINASES MEDICAL RESEARCH COUNCIL (GB) 2009-10-08 WO disclosed