SCHEMBL7183010

SCHEMBL7183010

O=C(NCC(C(=O)NCCC(C(=O)c1nc2ccccc2o1)c1ccccc1)S(=O)(=O)Cc1ccsc1)C1CNC1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSS P25774 17/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PDE6D O43924 1/20 0.35
MAPT P10636 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
SCHEMBL6062088 0.85 CTSS (0.36) CTSSCYP3A4CYP2C9LMNAHTT
SCHEMBL7043354 0.84 EPHX2 (0.39) CTSSCYP3A4CYP2C9
SCHEMBL6464414 0.81 FAAH (0.38) CTSSCYP3A4CYP2C9
SCHEMBL7044345 0.81 CTSS (0.39) CTSSCYP3A4CYP2C9LMNAHTT
SCHEMBL7042145 0.80 CTSS (0.40) CTSSCYP3A4CYP2C9LMNAHTT
SCHEMBL7183175 0.79 CTSS (0.39) CTSSCYP3A4CYP2C9LMNAHTT
SCHEMBL6463875 0.79 CTSS (0.39) CTSSCYP3A4CYP2C9LMNAHTT
SCHEMBL7048621 0.78 CTSS (0.35) CTSSCYP3A4CYP2C9LMNAHTT
SCHEMBL7049525 0.77 GART (0.38) CTSSCYP3A4CYP2C9
SCHEMBL7179327 0.77 LMNA (0.38) CTSSCYP3A4CYP2C9LMNAHTT

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-6576630-B1 Alkanoyl substituted benzooxazoles or naphthooxazoles AXYS PHARMACEUTICALS, INC. 2003-06-10 US disclosed