SCHEMBL9728456

SCHEMBL9728456

COC(CN1C=NCN(c2ccccc2)C1)OC

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 5/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MAPK1 P28482 2/20 0.34
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 2/20 0.33
GFER P55789 1/20 0.33
CHRNA7 P36544 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
LMNA P02545 1/20 0.30
DRD2 P14416 1/20 0.30
SIGMAR1 Q99720 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
SCHEMBL9728503 0.77 ADRA2A (0.52) MAPTL3MBTL1MAPK1ALDH1A1MEN1
SCHEMBL9728352 0.70 SMN1; SMN2 (0.40) MAPTALDH1A1KDM4ENPSR1LMNA
SCHEMBL574986 0.68 NPSR1 (0.38) MAPTMAPK1ALDH1A1KDM4ECHRNA7
SCHEMBL9728419 0.68 L3MBTL1 (0.43) TDP1MAPTL3MBTL1ALDH1A1KDM4E
SCHEMBL9728461 0.60 TDP1 (0.35) TDP1
SCHEMBL28644499 0.59 ALDH1A1 (0.49) TDP1MAPTL3MBTL1MAPK1ALDH1A1
SCHEMBL7375304 0.59 ADRB1 (0.40) TDP1MAPTL3MBTL1ALDH1A1KDM4E
SCHEMBL474882 0.57 SIGMAR1 (0.52) MAPTL3MBTL1MAPK1ALDH1A1CHRNA7
SCHEMBL30277734 0.56 ALDH1A1 (0.58) TDP1MAPTL3MBTL1MAPK1ALDH1A1
SCHEMBL13416394 0.56 KMT2A (0.51) MAPTL3MBTL1MAPK1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5098926-A Antitumor agents UNIVERSITY PATENTS, INC. (US) 1992-03-24 US disclosed
US-4888341-A 6-substituted mitomycin analogs UNIVERSITY PATENTS, INC. (US) 1989-12-19 US disclosed