SCHEMBL9414799

SCHEMBL9414799

O=C1N2CCN=C2c2ccccc2N1CN1CCN(c2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 1/20 0.44
RAD52 P43351 1/20 0.44
UHRF1 Q96T88 1/20 0.44
PTGS2 P35354 1/20 0.44
HTR1A P08908 5/20 0.43
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 4/20 0.42
ALDH3A1 P30838 4/20 0.42
DRD3 P35462 2/20 0.41
DRD4 P21917 1/20 0.41
HTR7 P34969 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
DRD2 P14416 1/20 0.40
DRD5 P21918 1/20 0.40

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
SCHEMBL10822596 0.78 GAA (0.55) DNMT1RAD52UHRF1HSD17B10ALDH1A1
SCHEMBL10822501 0.74 DNMT1 (0.49) DNMT1RAD52UHRF1KDM4EALDH1A1
SCHEMBL10822386 0.73 MEN1 (0.50) DNMT1RAD52UHRF1HSD17B10ALDH1A1
SCHEMBL10822612 0.71 DNMT1 (0.46) DNMT1RAD52UHRF1HTR1ADRD3
SCHEMBL8479084 0.70 DNMT1 (0.57) DNMT1RAD52UHRF1
SCHEMBL7329166 0.70 DNMT1 (0.57) DNMT1RAD52UHRF1CA1CA2
SCHEMBL11833756 0.66 HTR7 (0.65) PTGS2HTR1AKDM4EALDH1A1HTR7
SCHEMBL10822551 0.66 GAA (0.46) DNMT1RAD52UHRF1ALDH1A1ALDH3A1
SCHEMBL10625887 0.65 PTGS2 (0.55) PTGS2HTR1ADRD3DRD4HTR7
SCHEMBL10822558 0.64 PTAFR (0.51) DNMT1RAD52UHRF1PTGS2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0594877-A1 Imidazo(1,2-c)quinazoline derivates as antihyper tensives and anti dysurics NATIONAL SCIENCE COUNCIL (TW) 1994-05-04 EP claimed