SCHEMBL28048692

SCHEMBL28048692

Nc1cc(CCN2CCOCC2)c2ccccc2n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 4/20 0.59
GAA P10253 3/20 0.51
POLB P06746 3/20 0.51
KMT2A Q03164 3/20 0.51
KDM4E B2RXH2 2/20 0.51
GLA P06280 2/20 0.51
NPC1 O15118 1/20 0.51
LMNA P02545 1/20 0.51
RAD52 P43351 1/20 0.51
RAB9A P51151 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ACP1 P24666 2/20 0.49
TSHR P16473 4/20 0.49
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TOP2A P11388 1/20 0.48
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPK1 P28482 2/20 0.46
MEN1 O00255 2/20 0.46

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
SCHEMBL28048853 0.87 NCF1 (0.55) NCF1ACP1TOP2ASIGMAR1
SCHEMBL4731923 0.86 NCF1 (0.62) NCF1GAAKMT2AKDM4EGLA
SCHEMBL19475361 0.83 ACP1 (0.57) GAAPOLBKDM4ENPC1LMNA
SCHEMBL28227463 0.76 CNR1 (0.59) GAAPOLBKMT2AKDM4EGLA
SCHEMBL593492 0.75 SIGMAR1 (0.44) GAAPOLBKMT2AKDM4ELMNA
SCHEMBL4733334 0.74 NCF1 (1.00) NCF1GAAPOLBKDM4EGLA
SCHEMBL3718831 0.73 SIGMAR1 (0.60) POLBKMT2AMEN1SIGMAR1
SCHEMBL6071998 0.73 ALDH1A1 (0.51) GAAPOLBKMT2AKDM4EGLA
SCHEMBL17433848 0.73 NCF1 (0.57) NCF1KMT2AKDM4ELMNARAB9A
SCHEMBL17433976 0.72 NCF1 (0.62) NCF1KMT2A

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
CN-105377851-A BET bromodomain inhibitors and therapeutic methods using these inhibitors UNIV MICHIGAN REGENTS 2016-03-02 CN disclosed