SCHEMBL7809782

SCHEMBL7809782

CCOC(=O)Cn1c(-c2cccnc2)cc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.60
MEN1 O00255 1/20 0.60
L3MBTL1 Q9Y468 2/20 0.51
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 6/20 0.48
HSD17B10 Q99714 3/20 0.48
HPGD P15428 3/20 0.48
TSHR P16473 1/20 0.48
SAE1 Q9UBE0 1/20 0.48
UBA2 Q9UBT2 1/20 0.48
HTT P42858 3/20 0.47
TDP1 Q9NUW8 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
RAB9A P51151 1/20 0.46
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
CTNNB1 P35222 1/20 0.45
NTRK1 P04629 1/20 0.45

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
SCHEMBL11035940 0.80 CYP11B1 (0.49) KMT2AL3MBTL1ALDH1A1KDM4ETDP1
SCHEMBL11068897 0.77 TBXAS1 (0.62) KMT2AMEN1L3MBTL1ALDH1A1KDM4E
SCHEMBL10984891 0.77 MAPT (0.44) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL1779695 0.76 RAB9A (0.68) KMT2AMEN1ALDH1A1KDM4EHSD17B10
SCHEMBL7811371 0.75 ALDH1A1 (0.51) KMT2AL3MBTL1ALDH1A1NTRK1
SCHEMBL20037234 0.75 ALDH1A1 (0.61) KMT2AMEN1ALDH1A1KDM4EHSD17B10
SCHEMBL27848412 0.74 TDP1 (0.53) KMT2AMEN1L3MBTL1ALDH1A1KDM4E
SCHEMBL25143868 0.74 L3MBTL1 (0.71) KMT2AMEN1L3MBTL1ALDH1A1KDM4E
SCHEMBL11181973 0.74 ALDH1A1 (0.57) KMT2AMEN1L3MBTL1ALDH1A1KDM4E
SCHEMBL18202169 0.73 MEN1 (0.74) KMT2AMEN1ALDH1A1KDM4EHSD17B10

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-0949259-B1 N-HYDROXYUREA DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME NIKKEN CHEMICALS CO LTD (JP) 2001-06-20 EP disclosed
US-6184238-B1 ANTIALLERGENS, ANTIINFLAMMATORY AGENTS NIKKEN CHEMICALS CO., LTD. (JP) 2001-02-06 US disclosed
EP-0949259-A1 N-HYDROXYUREA DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Nikken Chemicals Company, Limited (JP) 1999-10-13 EP disclosed