SCHEMBL7700838

SCHEMBL7700838

CC(C)(C)c1ccc(-c2nc(C(=O)Nc3nccs3)c(-c3ccc(N)cc3)o2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.55
POLB P06746 1/20 0.55
TSHR P16473 1/20 0.55
MAPK1 P28482 1/20 0.55
NPC1 O15118 3/20 0.52
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
RECQL P46063 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
IKBKB O14920 2/20 0.48
MGAM O43451 2/20 0.42
GAA P10253 2/20 0.42
SI P14410 2/20 0.42
MGAM2 Q2M2H8 2/20 0.42
MAPT P10636 1/20 0.42
ADORA2A P29274 1/20 0.42

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
SCHEMBL7699732 0.89 RAB9A (0.53) RAB9APOLBTSHRMAPK1NPC1
SCHEMBL7699946 0.89 AGER (0.55) RAB9APOLBTSHRMAPK1IKBKB
SCHEMBL7695239 0.87 MAPT (0.55) RAB9APOLBTSHRMAPK1NPC1
SCHEMBL7697561 0.83 POLB (0.54) RAB9APOLBTSHRMAPK1SMN1; SMN2
SCHEMBL7994909 0.80 RAB9A (0.52) RAB9APOLBTSHRMAPK1NPC1
Hydrochloric Acid SCHEMBL7988505 0.80 RAB9A (0.51) RAB9APOLBTSHRMAPK1NPC1
SCHEMBL16378731 0.73 RAB9A (0.73) RAB9APOLBMAPK1NPC1LMNA
Hydrochloric Acid SCHEMBL7995196 0.72 GCGR (0.46) RAB9APOLBTSHRMAPK1NPC1
SCHEMBL7694080 0.72 IKBKB (0.55) RAB9AMAPK1NPC1LMNASMN1; SMN2
SCHEMBL7977619 0.71 RAB9A (0.52) RAB9APOLBTSHRMAPK1NPC1

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