SCHEMBL7809792

SCHEMBL7809792

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.62
HDAC1 Q13547 1/20 0.62
HDAC8 Q9BY41 1/20 0.62
HTR2C P28335 1/20 0.54
CNR1 P21554 1/20 0.53
CNR2 P34972 1/20 0.53
CHRM1 P11229 1/20 0.50
APP P05067 3/20 0.49
SNCA P37840 3/20 0.49
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
CYP19A1 P11511 2/20 0.47
SENP7 Q9BQF6 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC3 O15379 1/20 0.45
GAA P10253 1/20 0.45
FNTA P49354 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
SCHEMBL7809187 0.87 HDAC6 (0.58) HDAC6HDAC1HDAC8HTR2CCNR1
SCHEMBL7815554 0.82 HDAC1 (0.49) HDAC6HDAC1HDAC8HTR2CCNR1
SCHEMBL17372069 0.81 HTR2C (0.62) HTR2CCNR1CNR2CHRM1APP
SCHEMBL12850648 0.79 HDAC6 (0.74) HDAC6HDAC1HDAC8LMNAALDH1A1
SCHEMBL31370014 0.79 KMT2A (0.55) HTR2CCNR1CNR2CHRM1APP
SCHEMBL3855969 0.78 HTR2C (0.53) HDAC6HDAC1HDAC8HTR2CCNR1
SCHEMBL3855960 0.78 HTR2C (0.53) HDAC6HDAC1HDAC8HTR2CCNR1
SCHEMBL31370702 0.77 HTR2C (0.60) HTR2CCNR1CNR2CHRM1APP
SCHEMBL15705728 0.77 HDAC6 (0.82) HDAC6HDAC1HDAC8HDAC10HDAC3
SCHEMBL12472492 0.77 HDAC6 (1.00) HDAC6HDAC1HDAC8HDAC10HDAC3

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