SCHEMBL18239231

SCHEMBL18239231

C#CCSC1Sc2ccccc2N1C

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ MAOA P21397 1/20 0.33
▸ KDM1A O60341 2/20 0.30

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
SCHEMBL30923520 0.75 MAOA (0.41) MEN1KMT2AMAOAKDM1A
SCHEMBL4822999 0.75 MAOA (0.41) MEN1KMT2AMAOAKDM1A
Iodide SCHEMBL7694591 0.74 MAOA (0.39) MEN1KMT2AMAOAKDM1A
SCHEMBL11810556 0.71 MAOA (0.37) MAOAKDM1A
Carbamic Acid SCHEMBL11018326 0.69 LMNA (0.33) MEN1KMT2AKDM1A
SCHEMBL12264201 0.67 MAOA (0.46) MEN1KMT2AMAOAKDM1A
SCHEMBL6535400 0.66 VDR (0.36) MEN1KMT2A
SCHEMBL7992802 0.66 MAOA (0.42) MEN1KMT2AMAOAKDM1A
SCHEMBL11599215 0.66 MEN1 (0.32) MEN1KMT2A
SCHEMBL29814962 0.65 MAOA (0.45) MEN1KMT2AMAOAKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016180859-A1 THIOETHER COMPOUNDS AS NITRIFICATION INHIBITORS BASF SE (DE) 2016-11-17 — — WO disclosed
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