SCHEMBL7181305

SCHEMBL7181305

CC(=O)NC(CC(=O)NCCC(C(=O)c1nc2ccccc2o1)c1ccccc1)c1ccccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
MAPT P10636 1/20 0.42
CTSS P25774 12/20 0.40
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CTSA P10619 3/20 0.37
ATM Q13315 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
SCHEMBL7048984 0.86 KDM4E (0.40) LMNAMAPTCTSSCYP3A4CYP2C9
SCHEMBL6467567 0.79 CTSS (0.38) LMNAMAPTCTSSCYP3A4CYP2C9
SCHEMBL6061692 0.79 CTSS (0.41) LMNACTSSCYP3A4CYP2C9
SCHEMBL6475534 0.78 SMN1; SMN2 (0.39) LMNAMAPTCTSSCYP3A4CYP2C9
SCHEMBL7047104 0.77 LMNA (0.45) LMNACTSSCYP3A4
SCHEMBL7048379 0.77 CTSS (0.41) LMNACTSSCYP3A4CYP2C9
SCHEMBL7043345 0.76 CTSS (0.47) CTSSCYP3A4CYP2C9
SCHEMBL6466063 0.75 KDM4E (0.41) MAPTCTSSCYP3A4CYP2C9
SCHEMBL7045499 0.73 ELANE (0.43) MAPTATM
SCHEMBL7046968 0.72 ELANE (0.44) LMNAMAPTATM

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