SCHEMBL7724232

SCHEMBL7724232

CN(C)CCNC(=N)c1ccc(-c2ccc(-c3ccc(C(=N)NCCN(C)C)cc3)o2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 2/20 0.45
NQO2 P16083 9/20 0.45
ALDH1A1 P00352 2/20 0.45
TOP1 P11387 1/20 0.45
HPGD P15428 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
TOP2A P11388 2/20 0.44
TOP2B Q02880 2/20 0.44
MITF O75030 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SETD7 Q8WTS6 1/20 0.39
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL26108561 0.91 KDM4E (0.44) PRMT1NQO2ALDH1A1TOP1HPGD
SCHEMBL6531598 0.83 PRMT1 (0.50) PRMT1NQO2ALDH1A1HPGDHSD17B10
SCHEMBL8349629 0.83 TAAR1 (0.47) PRMT1ALDH1A1HPGDHSD17B10LMNA
SCHEMBL549139 0.82 SETD7 (0.58) ALDH1A1HPGDHSD17B10MITFLMNA
SCHEMBL7724245 0.81 NQO2 (0.50) PRMT1NQO2ALDH1A1TOP1HPGD
Hydrochloric Acid SCHEMBL5963346 0.81 SETD7 (0.56) ALDH1A1HPGDHSD17B10MITFLMNA
SCHEMBL7732998 0.80 HTT (0.41) PRMT1NQO2ALDH1A1TOP1HPGD
SCHEMBL7735075 0.79 NQO2 (0.47) PRMT1NQO2ALDH1A1TOP1HPGD
SCHEMBL549147 0.77 NQO2 (0.50) PRMT1NQO2ALDH1A1TOP1HPGD
SCHEMBL8346288 0.75 TAAR1 (0.45) ALDH1A1HPGDCASP1CASP7HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0792271-B1 FURAN DERIVATIVES FOR INHIBITING PNEUMOCYSTIS CARINII PNEUMONIA, GIARDIA LAMBLIA AND CRYPTOSPORIDIUM PARVUM UNIV GEORGIA STATE RES FOUND (US) 2002-02-27 EP claimed
CN-1681511-A Combinations of drugs for the treatment of neoplasms COMBINATORX INC (US) 2005-10-12 CN disclosed
EP-0792271-B1 FURAN DERIVATIVES FOR INHIBITING PNEUMOCYSTIS CARINII PNEUMONIA, GIARDIA LAMBLIA AND CRYPTOSPORIDIUM PARVUM UNIV GEORGIA STATE RES FOUND (US) 2002-02-27 EP disclosed