SCHEMBL5144601

SCHEMBL5144601

O=S(=O)(c1ccccc1C(F)(F)F)N1CCc2[c]ncnc2C1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.54
MEN1 O00255 2/20 0.54
NR3C1 P04150 1/20 0.42
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 3/20 0.40
CHRM4 P08173 1/20 0.40
GBA1 P04062 2/20 0.40
HSD11B1 P28845 1/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL5144598 0.84 KDM2B (0.42) KMT2AMEN1L3MBTL1
SCHEMBL5141474 0.81 HSD11B1 (0.45) KMT2AMEN1ALDH1A1GBA1HSD11B1
SCHEMBL5142690 0.78 HTT (0.48) KMT2AMEN1LMNAHTTALDH1A1
SCHEMBL4988434 0.77 KMT2A (0.54) KMT2AMEN1NR3C1LMNAHTT
SCHEMBL4988430 0.77 KMT2A (0.48) KMT2AMEN1NR3C1LMNAHTT
SCHEMBL5141447 0.76 L3MBTL1 (0.40) KMT2AMEN1LMNAHTTALOX15
SCHEMBL5142653 0.76 MEN1 (0.43) KMT2AMEN1GBA1
SCHEMBL5141465 0.76 EPHX2 (0.40) KMT2AMEN1ALDH1A1HSD11B1L3MBTL1
SCHEMBL5142770 0.76 ALDH1A1 (0.48) KMT2AMEN1HTTTSHRALDH1A1
SCHEMBL5141453 0.75 L3MBTL1 (0.42) KMT2AMEN1LMNAHTTALDH1A1

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
US-7297700-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2007-11-20 US claimed