SCHEMBL7701371

SCHEMBL7701371

O=C(CCc1ccccc1)Nc1ccc(-c2oc(-c3ccccc3)nc2C(=O)Nc2ccccn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 5/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
HSD17B10 Q99714 2/20 0.48
TOP2A P11388 1/20 0.46
TOP2B Q02880 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46

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
SCHEMBL7699494 0.90 NPC1 (0.58) GAAALDH1A1KDM4ENPC1RAB9A
SCHEMBL7695399 0.85 KDM4E (0.51) GAAALDH1A1KDM4ENPC1RAB9A
SCHEMBL7699717 0.85 HPGD (0.54) GAAALDH1A1KDM4ENPC1RAB9A
SCHEMBL7698680 0.85 MAPT (0.53) GAAALDH1A1KDM4ENPC1RAB9A
SCHEMBL7693531 0.85 KCNQ3 (0.43) ALDH1A1NPC1RAB9ASMN1; SMN2HDAC3
SCHEMBL7698117 0.82 NPC1 (0.57) GAAALDH1A1KDM4ENPC1RAB9A
SCHEMBL7700629 0.81 NPC1 (0.48) GAAALDH1A1KDM4ENPC1RAB9A
SCHEMBL7698274 0.81 RAB9A (0.51) KDM4ENPC1RAB9ASMN1; SMN2MEN1
SCHEMBL7704827 0.80 NPC1 (0.55) GAAALDH1A1KDM4ENPC1RAB9A
SCHEMBL7705439 0.80 KDM4E (0.50) GAAALDH1A1KDM4ENPC1RAB9A

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