SCHEMBL20180676

SCHEMBL20180676

C=C(NN)c1ccnc(NCCCN2CCOCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.44
BCR P11274 1/20 0.44
ALDH1A1 P00352 5/20 0.42
CYP3A4 P08684 5/20 0.42
CYP2D6 P10635 5/20 0.42
CYP1A2 P05177 4/20 0.42
LMNA P02545 4/20 0.42
CLK4 Q9HAZ1 3/20 0.42
SIGMAR1 Q99720 2/20 0.42
ALOX15 P16050 1/20 0.42
KDM4E B2RXH2 4/20 0.41
GAA P10253 2/20 0.41
NPC1 O15118 1/20 0.41
GLA P06280 1/20 0.41
POLB P06746 1/20 0.41
RAD52 P43351 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP2C19 P33261 4/20 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
SCHEMBL13702362 0.78 CYP2C9 (0.53) ALDH1A1CYP2D6KDM4EGAAPOLB
SCHEMBL446124 0.78 CYP3A4 (0.51) ABL1BCRALDH1A1CYP3A4CYP2D6
SCHEMBL1654886 0.78 EGLN2 (0.53) ABL1BCRALDH1A1CYP3A4CYP2D6
SCHEMBL13701724 0.78 MAPK14 (0.49) CYP2D6GAAMAPK14MAPT
SCHEMBL427012 0.77 ALDH1A1 (0.58) ABL1BCRALDH1A1CYP3A4CYP2D6
SCHEMBL2831921 0.77 ABL1 (0.49) ABL1BCRALDH1A1CYP3A4CYP2D6
SCHEMBL12015770 0.74 ABL1 (0.47) ABL1BCRALDH1A1CYP3A4CYP2D6
SCHEMBL11988642 0.74 FGFR1 (0.49) ABL1BCRALDH1A1CYP3A4CYP2D6
SCHEMBL11988213 0.73 DRD2 (0.57) ALDH1A1CYP3A4CYP2D6CYP1A2LMNA
SCHEMBL13702377 0.71 POLB (0.54) ALDH1A1CYP3A4CYP2D6CYP1A2CLK4

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
WO-2018093797-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF ABERRANT ANGIOGENESIS THE SCHEPENS EYE RESEARCH INSTITUTE, INC. (US) 2018-05-24 WO disclosed