SCHEMBL19974669

SCHEMBL19974669

CC(C)C(=O)Oc1cnc[nH]1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.38
HRH3 Q9Y5N1 10/20 0.37
HRH4 Q9H3N8 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALOX15 P16050 1/20 0.36

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
SCHEMBL19975111 0.87 ALDH1A1 (0.38) HRH3HRH4MEN1KMT2A
SCHEMBL19975343 0.81 HRH3 (0.40) HRH3HRH4
SCHEMBL4605470 0.79 MEN1 (0.45) HRH3HRH4MEN1KMT2A
SCHEMBL7158594 0.79
SCHEMBL3961101 0.76
SCHEMBL1331771 0.76 MEN1 (0.38) HRH3MEN1KMT2A
SCHEMBL7449177 0.75 ALDH1A1 (0.40) HRH3HRH4KMT2A
SCHEMBL19974655 0.74 ELANE (0.41) ELANEHRH3MEN1KMT2A
SCHEMBL13134162 0.73 KMT2A (0.36) ELANEHRH3MEN1KMT2A
SCHEMBL19974645 0.71 MEN1 (0.38) HRH3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3512840-A1 NOVEL SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS D-AMINO ACID OXIDASE (DAAO) INHIBITORS Tseng, Yufeng, Jane (US) 2019-07-24 EP disclosed
WO-2018053161-A1 NOVEL SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS D-AMINO ACID OXIDASE (DAAO) INHIBITORS NATIONAL TAIWAN UNIVERSITY (TW) 2018-03-22 WO disclosed