SCHEMBL9728503

SCHEMBL9728503

OCC(O)CN1C=NCN(c2ccccc2)C1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.52
ADRA2B P18089 1/20 0.52
ADRA2C P18825 1/20 0.52
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 4/20 0.35
TSHR P16473 1/20 0.34
FGFR1 P11362 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
IGF1R P08069 1/20 0.33
HTR7 P34969 2/20 0.32

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
SCHEMBL9728456 0.77 TDP1 (0.35) ADRA2AADRA2BADRA2CKMT2AMEN1
SCHEMBL9728352 0.70 SMN1; SMN2 (0.40) MAPTTSHRALDH1A1LMNA
Levodropropizine SCHEMBL29043 0.69 ADRA2A (1.00) ADRA2AADRA2BADRA2CKMT2AMEN1
Dropropizine SCHEMBL93975 0.69 ADRA2A (1.00) ADRA2AADRA2BADRA2CKMT2AMEN1
Dropropizine SCHEMBL8379428 0.69 ADRA2A (1.00) ADRA2AADRA2BADRA2CKMT2AMEN1
Dropropizine SCHEMBL27495915 0.68 ADRA2A (0.97) ADRA2AADRA2BADRA2CKMT2AMEN1
SCHEMBL574986 0.68 NPSR1 (0.38) KMT2AMEN1MAPTTSHRMAPK1
SCHEMBL9728419 0.68 L3MBTL1 (0.43) KMT2AMAPTTSHRL3MBTL1ALDH1A1
Dropropizine SCHEMBL10445730 0.63 ADRA2A (0.83) ADRA2AADRA2BADRA2CKMT2AMEN1
Hydrochloric Acid SCHEMBL1585091 0.63 ADRA2A (0.42) ADRA2AADRA2BADRA2CLMNA

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