SCHEMBL8377368

SCHEMBL8377368

CC(C)(C)ON(C=O)CCOc1cc(-c2cccs2)on1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.40
LMNA P02545 4/20 0.40
HPGD P15428 4/20 0.40
SMN1; SMN2 Q16637 7/20 0.38
NPC1 O15118 4/20 0.38
KMT2A Q03164 6/20 0.35
MEN1 O00255 5/20 0.35
ESR1 P03372 1/20 0.35
MAPT P10636 6/20 0.35
KDM4E B2RXH2 5/20 0.35
TP53 P04637 4/20 0.35
THRB P10828 1/20 0.35
ALDH1A1 P00352 5/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 2/20 0.34
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL8378946 0.84 CXCR1 (0.40) ALDH1A1
SCHEMBL8375559 0.82 CXCR1 (0.41) RAB9ANPC1ALDH1A1
SCHEMBL8377369 0.81 NPC1 (0.34) RAB9AHPGDSMN1; SMN2NPC1KMT2A
SCHEMBL8376838 0.81 NR1H4 (0.32) KMT2AMEN1MAPT
SCHEMBL8375816 0.81 EPHX2 (0.38)
SCHEMBL8375555 0.81 NPC1 (0.35) RAB9ALMNAHPGDSMN1; SMN2NPC1
SCHEMBL8377377 0.80 NPC1 (0.38) RAB9AHPGDSMN1; SMN2NPC1KMT2A
SCHEMBL8379540 0.80 ALDH1A1 (0.38) RAB9AHPGDNPC1KDM4ETP53
SCHEMBL8375770 0.80 CXCR1 (0.43) RAB9AHPGDSMN1; SMN2NPC1KMT2A
SCHEMBL8376906 0.80 CXCR1 (0.40) RAB9ALMNASMN1; SMN2NPC1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6005116-A HAVE INHIBITION ACTIVITIES AGAINST TYPE A-MONOAMINE OXIDASE; TREATING OR PREVENTING DEPRESSION, PARKINSON'S DISEASE, ALZEHEIMER'S DEMENTIA, OR CEREBROVASCULAR DEMENTIA SANKYO COMPANY, LIMITED (JP) 1999-12-21 US disclosed
EP-0885891-A1 ISOXAZOLE DERIVATIVES SANKYO COMPANY LIMITED (JP) 1998-12-23 EP disclosed