SCHEMBL7809778

SCHEMBL7809778

CCOC(=O)c1ccc2[nH]cc(-c3cccnc3)c2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.64
ALDH1A1 P00352 5/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
HPGD P15428 3/20 0.54
HSD17B10 Q99714 2/20 0.54
TP53 P04637 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MMP2 P08253 1/20 0.53
MMP13 P45452 1/20 0.53
MMP14 P50281 1/20 0.53
ACHE P22303 1/20 0.52
NR4A2 P43354 1/20 0.52
TDO2 P48775 2/20 0.51
NEK1 Q96PY6 1/20 0.51
KDM4E B2RXH2 5/20 0.50
MAPT P10636 3/20 0.50
HCRTR1 O43613 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL23484192 0.78 CA12 (0.56) IMPDH2ALDH1A1MEN1KMT2AHPGD
SCHEMBL1895643 0.76 CYP2C9 (0.57) ALDH1A1MEN1KMT2AHPGDTP53
SCHEMBL5735824 0.76 MKNK1 (0.59) ALDH1A1KMT2AHSD17B10L3MBTL1MMP2
SCHEMBL6755274 0.76 ALDH1A1 (0.67) IMPDH2ALDH1A1MEN1KMT2AHPGD
SCHEMBL31189439 0.76 MMP2 (0.50) IMPDH2ALDH1A1MEN1KMT2AHPGD
SCHEMBL10028690 0.75 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AHPGDTP53
SCHEMBL27650006 0.75 HSD17B10 (0.66) IMPDH2ALDH1A1MEN1KMT2AHPGD
SCHEMBL30590650 0.75 MMP2 (0.49) IMPDH2ALDH1A1MEN1KMT2AHPGD
SCHEMBL5487018 0.75 CYP11B2 (0.74) ALDH1A1MEN1KMT2AHPGDMMP2
SCHEMBL29363035 0.74 KDM4E (0.56) ALDH1A1MEN1KMT2AHPGDMMP2

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