SCHEMBL8618844

SCHEMBL8618844

Cc1ccc(S(=O)(=NO)C2CCCc3cccnc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
TDP1 Q9NUW8 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CXCR4 P61073 5/20 0.36
COMT P21964 2/20 0.36
SCN1A P35498 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN8A Q9UQD0 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 2/20 0.34
MITF O75030 1/20 0.34
S1PR4 O95977 1/20 0.34
S1PR1 P21453 1/20 0.34

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
SCHEMBL9770691 0.72 MAPT (0.50) ALDH1A1MAPTSMN1; SMN2CXCR4SCN1A
SCHEMBL13978036 0.68 CYP2D6 (0.42) ALDH1A1TDP1L3MBTL1LMNAMAPT
SCHEMBL31006317 0.68 HTR6 (0.61) ALDH1A1LMNAMAPTHTT
SCHEMBL9810195 0.66 DDB1 (0.40) CXCR4
Hydrochloric Acid SCHEMBL10569209 0.65 CXCR4 (0.40) CXCR4
SCHEMBL2688968 0.65 HDAC1 (0.45) CXCR4HDAC1HDAC6
SCHEMBL29640806 0.65 HDAC1 (0.45) CXCR4HDAC1HDAC6
SCHEMBL5021376 0.65 P2RX7 (0.45) CXCR4HDAC1HDAC6
SCHEMBL12833464 0.65 HDAC1 (0.41) CXCR4HDAC1HDAC6
SCHEMBL10286357 0.65 P2RX7 (0.45) CXCR4HDAC1HDAC6

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
US-5789587-A Heterocyclic-fused lactams promote release of growth hormone MERCK & CO., INC. (US) 1998-08-04 US disclosed
US-5606054-A Heterocyclic-fused lactams promote release of growth hormone MERCK & CO., INC. (US) 1997-02-25 US disclosed
WO-1995016692-A1 HETEROCYCLIC-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1995-06-22 WO disclosed