SCHEMBL7807789

SCHEMBL7807789

COC(=O)c1ccc2c(ccn2Cc2cccnc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 7/20 0.52
HDAC8 Q9BY41 5/20 0.52
HDAC11 Q96DB2 1/20 0.52
CYP19A1 P11511 1/20 0.51
CYP11B1 P15538 1/20 0.51
CYP11B2 P19099 1/20 0.51
KDM4E B2RXH2 1/20 0.50
EGFR P00533 1/20 0.49
ERBB4 Q15303 1/20 0.49
HDAC3 O15379 5/20 0.48
HDAC1 Q13547 5/20 0.48
HDAC2 Q92769 5/20 0.48
HDAC10 Q969S8 3/20 0.48
HSP90AA1 P07900 1/20 0.47
HSP90B1 P14625 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
PLG P00747 1/20 0.46
PLAU P00749 1/20 0.46

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
SCHEMBL6840334 0.86 PLAU (0.49) HDAC6HDAC8HDAC11HDAC3HDAC1
SCHEMBL3109875 0.86 HDAC6 (0.61) HDAC6HDAC8HDAC11HDAC3HDAC1
SCHEMBL28580016 0.81 HDAC8 (0.54) HDAC6HDAC8HDAC11HDAC3HDAC1
SCHEMBL30185495 0.81 HDAC8 (0.54) HDAC6HDAC8HDAC11HDAC3HDAC1
SCHEMBL30185504 0.81 HDAC8 (0.54) HDAC6HDAC8HDAC11HDAC3HDAC1
SCHEMBL7812249 0.81 PLAU (0.46) HDAC6HDAC8HDAC11KDM4EEGFR
SCHEMBL6086357 0.80 HDAC6 (0.65) HDAC6HDAC8HDAC11HDAC3HDAC1
SCHEMBL30185520 0.80 HDAC6 (0.65) HDAC6HDAC8HDAC11HDAC3HDAC1
SCHEMBL30185511 0.80 HDAC6 (0.67) HDAC6HDAC8HDAC11HDAC3HDAC1
SCHEMBL28582440 0.80 HDAC6 (0.78) HDAC6HDAC8HDAC11HDAC3HDAC1

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