SCHEMBL7701097

SCHEMBL7701097

CC(=O)Nc1ccc(-c2oc(-c3ccc(C(C)(C)C)cc3)nc2C(=O)NCCC(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
CASR P41180 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
IKBKB O14920 1/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
ADCY6 O43306 3/20 0.41
ADCY3 O60266 3/20 0.41
ADCY9 O60503 3/20 0.41
ADCY5 O95622 3/20 0.41
ADCY8 P40145 3/20 0.41
GCGR P47871 3/20 0.41
ADCY7 P51828 3/20 0.41
ADCY2 Q08462 3/20 0.41
ADCY1 Q08828 3/20 0.41
ADCY4 Q8NFM4 3/20 0.41
EPHX2 P34913 4/20 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
SCHEMBL7695335 0.86 SMN1; SMN2 (0.43) SMN1; SMN2IKBKBMTNR1AMTNR1BGCGR
SCHEMBL7699326 0.86 IKBKB (0.47) KDM4EGAASMN1; SMN2NPC1RAB9A
SCHEMBL7703333 0.84 KDM4E (0.64) KDM4EGAASMN1; SMN2NPC1RAB9A
SCHEMBL7701315 0.81 MTNR1A (0.45) KDM4EGAASMN1; SMN2NPC1RAB9A
SCHEMBL7695163 0.81 KDM4E (0.58) KDM4EGAASMN1; SMN2NPC1RAB9A
SCHEMBL7699894 0.80 IKBKB (0.54) KDM4EGAASMN1; SMN2NPC1RAB9A
SCHEMBL7695359 0.79 EPHX2 (0.44) KDM4EGAASMN1; SMN2NPC1RAB9A
SCHEMBL7704952 0.79 SMN1; SMN2 (0.44) KDM4EGAASMN1; SMN2NPC1RAB9A
SCHEMBL7695247 0.79 EPHX2 (0.54) KDM4EGAASMN1; SMN2RAB9AIKBKB
SCHEMBL7703211 0.79 KDM4E (0.49) KDM4EGAASMN1; SMN2NPC1RAB9A

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