SCHEMBL7699301

SCHEMBL7699301

CC(=O)c1ccc(NC(=O)c2nc(-c3ccc(C(C)(C)C)cc3)oc2-c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
RXFP1 Q9HBX9 2/20 0.53
IKBKB O14920 2/20 0.48
HDAC4 P56524 1/20 0.46
THRB P10828 1/20 0.43
CNR2 P34972 1/20 0.42
TP53 P04637 1/20 0.42
HDAC6 Q9UBN7 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL7702798 0.90 MAPT (0.50) MAPTRXFP1IKBKBHDAC4THRB
SCHEMBL7693950 0.90 IKBKB (0.52) MAPTIKBKBTP53HDAC6HDAC3
SCHEMBL7697491 0.89 HDAC4 (0.49) MAPTRXFP1IKBKBHDAC4
SCHEMBL7701281 0.81 MAPT (0.49) MAPTRXFP1IKBKBHDAC4THRB
SCHEMBL7701056 0.81 MAPT (0.47) MAPTRXFP1IKBKBTP53KDM4E
SCHEMBL7693990 0.80 IKBKB (0.53) MAPTRXFP1IKBKBHDAC6HDAC3
SCHEMBL7703333 0.80 KDM4E (0.64) MAPTIKBKBTP53HDAC1KDM4E
SCHEMBL7699046 0.80 POLB (0.45) MAPTRXFP1IKBKBTP53KDM4E
SCHEMBL7699232 0.80 ALDH1A1 (0.47) MAPTRXFP1IKBKBTP53KDM4E
SCHEMBL7699732 0.79 RAB9A (0.53) MAPTRXFP1IKBKBALDH1A1LMNA

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-2002064558-A2 OXAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS CYTOKINE INHIBITORS SANKYO COMPANY, LIMITED (JP) 2002-08-22 WO disclosed