SCHEMBL9167791

SCHEMBL9167791

O=C(NCCN1CCNC1=O)NCCN1CCNC1=O

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.60
RAB9A P51151 1/20 0.60
KDM4E B2RXH2 3/20 0.57
ALDH1A1 P00352 3/20 0.57
LMNA P02545 1/20 0.57
CREBBP Q92793 1/20 0.48
FPR3 P25089 5/20 0.44
FPR2 P25090 5/20 0.44
ENPP2 Q13822 1/20 0.44
HPGDS O60760 1/20 0.44
PLAT P00750 1/20 0.41
POLR1A O95602 1/20 0.41

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
SCHEMBL10018688 0.93 KDM4E (0.58) KMT2ARAB9AKDM4EALDH1A1LMNA
SCHEMBL13853727 0.90 KMT2A (0.59) KMT2ARAB9AKDM4EALDH1A1LMNA
SCHEMBL5654310 0.87 KMT2A (0.62) KMT2ARAB9AKDM4EALDH1A1LMNA
SCHEMBL17428293 0.87 KMT2A (0.58) KMT2ARAB9AKDM4EALDH1A1LMNA
SCHEMBL363624 0.87 KMT2A (0.56) KMT2ARAB9AKDM4EALDH1A1LMNA
SCHEMBL15167002 0.87 KDM4E (0.56) KMT2ARAB9AKDM4EALDH1A1LMNA
SCHEMBL20852069 0.86 KDM4E (0.58) KMT2ARAB9AKDM4EALDH1A1LMNA
SCHEMBL20016690 0.86 KMT2A (0.57) KMT2ARAB9AKDM4EALDH1A1LMNA
SCHEMBL4548019 0.86 KMT2A (0.61) KMT2ARAB9AKDM4EALDH1A1LMNA
SCHEMBL10018786 0.84 KMT2A (0.56) KMT2ARAB9AKDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0432920-B1 Polymer-modified cements with improved chemical resistance ROHM & HAAS (US) 1995-04-05 EP disclosed
US-5162060-A Acrylic Polymer Containing Ureido Group, Epoxy Resin ROHM AND HAAS COMPANY (US) 1992-11-10 US disclosed
EP-0432920-A2 Polymer-modified cements with improved chemical resistance ROHM AND HAAS COMPANY (US) 1991-06-19 EP disclosed
US-4429095-A PAINT ADHESION PROMOTERS ALCOLAC INC. (US) 1984-01-31 US disclosed
US-4340743-A ADHESION PROMOTERS FOR LATEX PAINTS ALCOLAC INC. (US) 1982-07-20 US disclosed