SCHEMBL3931801

SCHEMBL3931801

O=S(=O)(c1ccc(-c2ccno2)s1)N1CCc2c(ccnc2Nc2cnc3ccccc3c2)C1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 11/20 0.66
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
PRF1 P14222 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GRM4 Q14833 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL3941306 0.89 FAAH (0.65) FAAHKMT2AALDH1A1LMNAMAPK1
SCHEMBL3938696 0.86 FAAH (0.62) FAAHKMT2AALDH1A1TRPV1POLB
SCHEMBL4014500 0.85 FAAH (0.64) FAAHKMT2AALDH1A1LMNAMAPK1
SCHEMBL3937438 0.85 FAAH (0.73) FAAHALDH1A1LMNAMAPK1HTT
SCHEMBL3931485 0.85 FAAH (0.73) FAAHKMT2AALDH1A1LMNAMAPK1
SCHEMBL3933627 0.85 FAAH (0.73) FAAHKMT2AALDH1A1LMNAMAPK1
SCHEMBL3933834 0.84 FAAH (0.70) FAAHKMT2AALDH1A1LMNAMAPK1
SCHEMBL3931109 0.84 FAAH (0.67) FAAHALDH1A1LMNAMAPK1HTT
SCHEMBL3931080 0.82 FAAH (0.75) FAAHALDH1A1LMNAMAPK1HTT
SCHEMBL3937611 0.82 FAAH (0.62) FAAHALDH1A1TRPV1GRM4

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-2009011904-A1 COMPOUNDS USEFUL AS FAAH MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2009-01-22 WO disclosed