Sugi Predict

Sugi Predict / Compounds / SCHEMBL3938696

SCHEMBL3938696

SCHEMBL3938696

O=S(=O)(c1ccc(-c2cc(C(F)(F)F)on2)s1)N1CCc2c(ccnc2Nc2cnc3ccccc3c2)C1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 11/20 0.62
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ MAPT P10636 4/20 0.48
▸ POLB P06746 2/20 0.44
▸ TP53 P04637 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ KMT2A Q03164 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
SCHEMBL3931801 0.86 FAAH (0.66) FAAHL3MBTL1POLBTRPV1ALDH1A1
SCHEMBL3937611 0.83 FAAH (0.62) FAAHTRPV1ALDH1A1
SCHEMBL3941306 0.83 FAAH (0.65) FAAHL3MBTL1POLBALDH1A1KMT2A
SCHEMBL4014500 0.82 FAAH (0.64) FAAHL3MBTL1POLBALDH1A1KMT2A
SCHEMBL3931109 0.82 FAAH (0.67) FAAHTRPV1ALDH1A1
SCHEMBL3933627 0.82 FAAH (0.73) FAAHL3MBTL1ALDH1A1KMT2A
SCHEMBL3931485 0.82 FAAH (0.73) FAAHL3MBTL1TRPV1ALDH1A1KMT2A
SCHEMBL3937438 0.82 FAAH (0.73) FAAHL3MBTL1MAPTPOLBALDH1A1
SCHEMBL3933834 0.81 FAAH (0.70) FAAHL3MBTL1MAPTTRPV1ALDH1A1
SCHEMBL3932389 0.80 FAAH (0.72) FAAHL3MBTL1TRPV1ALDH1A1

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