SCHEMBL7699732

SCHEMBL7699732

CN(C)c1ccc(-c2oc(-c3ccc(C(C)(C)C)cc3)nc2C(=O)Nc2nccs2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.53
TSHR P16473 2/20 0.53
MAPK1 P28482 2/20 0.53
POLB P06746 1/20 0.53
IKBKB O14920 2/20 0.42
RXFP1 Q9HBX9 1/20 0.41
MGAM O43451 3/20 0.41
GAA P10253 3/20 0.41
SI P14410 3/20 0.41
MGAM2 Q2M2H8 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ADORA2A P29274 1/20 0.41
GBA1 P04062 1/20 0.41
HPGD P15428 1/20 0.41
MAPK10 P53779 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
SCHEMBL7697561 0.90 POLB (0.54) RAB9ATSHRMAPK1POLBIKBKB
SCHEMBL7700838 0.89 RAB9A (0.55) RAB9ATSHRMAPK1POLBIKBKB
SCHEMBL7699946 0.87 AGER (0.55) RAB9ATSHRMAPK1POLBIKBKB
SCHEMBL7695239 0.85 MAPT (0.55) RAB9ATSHRMAPK1POLBIKBKB
SCHEMBL7702798 0.81 MAPT (0.50) RAB9AMAPK1IKBKBRXFP1GAA
Hydrochloric Acid SCHEMBL7992218 0.80 AURKA (0.47) RAB9ATSHRMAPK1POLBRXFP1
SCHEMBL7697491 0.80 HDAC4 (0.49) IKBKBRXFP1MAPT
SCHEMBL7699301 0.79 MAPT (0.53) IKBKBRXFP1ALDH1A1LMNAHPGD
SCHEMBL7693990 0.78 IKBKB (0.53) RAB9ATSHRIKBKBRXFP1ALDH1A1
SCHEMBL7699046 0.78 POLB (0.45) RAB9ATSHRPOLBIKBKBRXFP1

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