SCHEMBL7809187

SCHEMBL7809187

COC(=O)c1ccc(Cc2cn(Cc3cccnc3)c3ccccc23)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.58
HDAC1 Q13547 3/20 0.58
HDAC8 Q9BY41 3/20 0.58
KDM4E B2RXH2 2/20 0.56
CNR2 P34972 2/20 0.53
CNR1 P21554 1/20 0.53
HDAC10 Q969S8 4/20 0.50
HTR2C P28335 1/20 0.50
APP P05067 3/20 0.48
SNCA P37840 3/20 0.48
LMNA P02545 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HDAC3 O15379 1/20 0.46
HDAC2 Q92769 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
TSHR P16473 1/20 0.45
HTT P42858 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
SCHEMBL12472565 0.88 HDAC6 (0.73) HDAC6HDAC1HDAC8CNR2HDAC10
SCHEMBL7809792 0.87 HDAC6 (0.62) HDAC6HDAC1HDAC8CNR2CNR1
SCHEMBL7815554 0.79 HDAC1 (0.49) HDAC6HDAC1HDAC8KDM4ECNR2
SCHEMBL3855963 0.78 CNR1 (0.53) HDAC6KDM4ECNR2CNR1HDAC10
SCHEMBL17372069 0.77 HTR2C (0.62) CNR2CNR1HTR2CAPPSNCA
SCHEMBL11059396 0.77 ALDH1A1 (0.61) ALDH1A1
SCHEMBL30632097 0.77 ALDH1A1 (0.61) ALDH1A1
SCHEMBL2879361 0.77 GPR84 (0.56) HDAC6HDAC1HDAC8KDM4EHDAC10
SCHEMBL3855960 0.76 HTR2C (0.53) HDAC6HDAC1HDAC8KDM4ECNR2
SCHEMBL3855969 0.76 HTR2C (0.53) HDAC6HDAC1HDAC8KDM4ECNR2

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