SCHEMBL11029979

SCHEMBL11029979

N=C(NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C1CCCC(=O)N1)c1cscn1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TRHR P34981 6/20 0.43
▸ HDAC3 O15379 8/20 0.37
▸ HDAC11 Q96DB2 8/20 0.37
▸ HDAC6 Q9UBN7 8/20 0.37
▸ HDAC1 Q13547 7/20 0.37
▸ HDAC2 Q92769 7/20 0.37
▸ HDAC10 Q969S8 7/20 0.37
▸ HDAC8 Q9BY41 7/20 0.37
▸ NCOR2 Q9Y618 2/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35
▸ HDAC9 Q9UKV0 1/20 0.35
▸ HDAC5 Q9UQL6 1/20 0.35
▸ NAA50 Q9GZZ1 3/20 0.35

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
SCHEMBL7649422 0.79 TRHR (0.43) TRHRHDAC3HDAC11HDAC6HDAC1
SCHEMBL11440014 0.78 TRHR (0.47) TRHRHDAC3HDAC11HDAC6HDAC1
SCHEMBL11445107 0.78 TRHR (0.47) TRHRHDAC3HDAC11HDAC6HDAC1
SCHEMBL27504186 0.77 TRHR (0.41) TRHRHDAC3HDAC11HDAC6HDAC1
SCHEMBL1370995 0.76 TRHR (0.41) TRHRHDAC3HDAC11HDAC6HDAC1
SCHEMBL11034489 0.75 TRHR (0.44) TRHR
SCHEMBL14028666 0.74 TRHR (0.61) TRHRHDAC3HDAC11HDAC6HDAC1
SCHEMBL11816929 0.74 TRHR (0.38) TRHRHDAC3HDAC11HDAC6HDAC1
SCHEMBL6026783 0.73 TRHR (0.46) TRHR
SCHEMBL29405912 0.73 TRHR (0.46) TRHR

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-0036145-B1 AN ORALLY ADMINISTERED DRUG FORM COMPRISING A POLAR BIOACTIVE AGENT AND AN ADJUVANT INTERx RESEARCH CORPORATION (US) 1985-05-29 — — EP disclosed
EP-0083032-A2 Rectally administrable suppository comprising a drug and an adjuvant MERCK & CO. INC. (US) 1983-07-06 — — EP disclosed
EP-0036145-A1 An orally administered drug form comprising a polar bioactive agent and an adjuvant INTERx RESEARCH CORPORATION (US) 1981-09-23 — — EP disclosed
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