SCHEMBL7846009

SCHEMBL7846009

CN(C)C(=O)c1cn(C(=O)N(C)C)c2cccc(Br)c12

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 1/20 0.35
HDAC2 Q92769 1/20 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
SCHEMBL7846010 0.89 ALDH1A1 (0.35) ALDH1A1KMT2A
SCHEMBL7844874 0.83 IL1B (0.42) ALDH1A1
SCHEMBL7835032 0.81 CNR1 (0.36)
SCHEMBL7505066 0.78
SCHEMBL1020598 0.75 IL1B (0.48) ALDH1A1KMT2A
SCHEMBL1019418 0.73 IL1B (0.42)
SCHEMBL27999076 0.73 CREBBP (0.45) ALDH1A1KMT2A
SCHEMBL7844876 0.71 IL1B (0.42) ALDH1A1KMT2A
SCHEMBL7835036 0.69 CA12 (0.41) ALDH1A1
Formamide SCHEMBL4203053 0.68 BCHE (0.48) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0821685-B1 INDOLE-3-CARBONYL AND INDOLE-3-SULFONYL DERIVATIVES AS PLATELET ACTIVATING FACTOR ANTAGONISTS ABBOTT LAB (US) 2001-10-04 EP disclosed
EP-0821685-A1 INDOLE-3-CARBONYL AND INDOLE-3-SULFONYL DERIVATIVES AS PLATELET ACTIVATING FACTOR ANTAGONISTS ABBOTT LABORATORIES (US) 1998-02-04 EP disclosed
US-5654305-A TREATING PLATELET ACTIVATING FACTOR MEDIATED DISORDERS ABBOTT LABORATORIES (US) 1997-08-05 US disclosed
WO-1996033196-A1 INDOLE-3-CARBONYL AND INDOLE-3-SULFONYL DERIVATIVES AS PLATELET ACTIVATING FACTOR ANTAGONISTS ABBOTT LABORATORIES (US) 1996-10-24 WO disclosed
US-5567711-A Indole-3-carbonyl and indole-3-sulfonyl derivatives as platelet activating factor antagonists ABBOTT LABORATORIES (US) 1996-10-22 US disclosed