SCHEMBL14237017

SCHEMBL14237017

O=S(=O)(c1ccccc1Br)C(C1CCNCC1)N1CCc2ccccc2C1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTR6 P50406 6/20 0.34
TSHR P16473 4/20 0.33
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 3/20 0.33
KDM4E B2RXH2 3/20 0.33
MAPT P10636 3/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
LMNA P02545 3/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
DPP8 Q6V1X1 1/20 0.32

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
Hydrochloric Acid SCHEMBL1626781 0.99 HTR6 (0.36) KMT2AL3MBTL1HTR6TSHRALDH1A1
SCHEMBL14237070 0.87 HTR6 (0.35) KMT2AL3MBTL1HTR6MEN1MAPT
SCHEMBL14237048 0.87 HTR6 (0.39) KMT2AL3MBTL1HTR6ALDH1A1MEN1
Hydrochloric Acid SCHEMBL5922603 0.86 HTR6 (0.35) KMT2AL3MBTL1HTR6TSHRALDH1A1
Hydrochloric Acid SCHEMBL1627544 0.86 HTR6 (0.39) KMT2AL3MBTL1HTR6ALDH1A1MEN1
SCHEMBL14237025 0.85 KMT2A (0.36) KMT2AL3MBTL1HTR6TSHRALDH1A1
Hydrochloric Acid SCHEMBL1627103 0.84 KMT2A (0.36) KMT2AL3MBTL1HTR6ALDH1A1MEN1
Hydrochloric Acid SCHEMBL14237064 0.83 MEN1 (0.43) KMT2AHTR6TSHRALDH1A1MEN1
SCHEMBL14237057 0.83 SLC6A2 (0.34) KMT2AL3MBTL1HTR6TSHRALDH1A1
Hydrochloric Acid SCHEMBL1625086 0.82 SLC6A2 (0.36) HTR6TSHRALDH1A1KDM4EMAPT

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
EP-1831195-B1 5-HT7 RECEPTOR ANTAGONISTS ESTEVE LABOR DR (ES) 2012-12-19 EP claimed