SCHEMBL9639810

SCHEMBL9639810

O=C(CN(CC(=O)Nc1ccccc1)CC(=O)Nc1ccccc1)Nc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.59
EPHX2 P34913 2/20 0.59
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
MAPT P10636 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
HTT P42858 1/20 0.55
TP53 P04637 1/20 0.54
EPHX1 P07099 1/20 0.54
TSHR P16473 1/20 0.54
CDK9 P50750 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CLK4 Q9HAZ1 1/20 0.54
GAA P10253 2/20 0.53
KDM1A O60341 1/20 0.53
SCN1A P35498 1/20 0.53
SCN2A Q99250 1/20 0.53
SCN3A Q9NY46 1/20 0.53
HDAC4 P56524 3/20 0.52
HDAC7 Q8WUI4 3/20 0.52

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
SCHEMBL9974560 0.94 CA1 (0.64) HDAC1EPHX2CA1CA2L3MBTL1
SCHEMBL4365925 0.92 HDAC1 (0.65) HDAC1EPHX2CA1CA2MAPT
SCHEMBL8623174 0.88 ALDH1A1 (0.68) HDAC1MAPTL3MBTL1GAASCN3A
SCHEMBL5310831 0.87 HDAC1 (0.56) HDAC1EPHX2CA1CA2MAPT
SCHEMBL27650715 0.87 MEN1 (0.60) HDAC1EPHX2MAPTL3MBTL1HTT
SCHEMBL4272357 0.85 CA1 (0.67) HDAC1CA1CA2TSHRKDM4E
SCHEMBL4268752 0.85 CA1 (0.67) HDAC1CA1CA2TSHRKDM4E
Hydrochloric Acid SCHEMBL7347971 0.84 HDAC1 (0.54) HDAC1EPHX2CA1CA2MAPT
SCHEMBL3106151 0.84 HDAC1 (0.50) HDAC1EPHX2CA1CA2MAPT
SCHEMBL7049647 0.83 MAPT (0.60) HDAC1EPHX2MAPTL3MBTL1HTT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0313712-B1 STABLE RADIODIAGNOSTIC COMPOSITONS AND THEIR PREPARATION SORIN BIOMEDICA S.p.A. (IT) 1992-07-29 EP claimed
US-4857299-A Stable radiodiagnostic product SOLCO BASEL AG (CH) 1989-08-15 US claimed
JP-2019328-A None JP disclosed
JP-H0219328-A STABLE RADIODIAGNOSTIC PRODUCT AND ITS PRODUCTION SOLCO BASEL AG 1990-01-23 JP disclosed
US-4873074-A FOR PATHOLOGICAL PROCESSES IN BONE; DIHYDROXYBENZENE DERIVATIVES AS STABILIZERS; NUCLEAR MEDICINE SOLCO BASEL (CH) 1989-10-10 US disclosed
US-4857299-A Stable radiodiagnostic product SOLCO BASEL AG (CH) 1989-08-15 US disclosed