SCHEMBL6988657

SCHEMBL6988657

Cc1c(F)ccc2onc(SCCNC(=O)OC(C)(C)C)c12

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 6/20 0.51
ALDH1A1 P00352 4/20 0.38
TSHR P16473 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PKM P14618 1/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.37
POLB P06746 2/20 0.37
GAA P10253 1/20 0.37
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL8200099 0.88 IDO1 (0.49) IDO1ALDH1A1TSHRSMN1; SMN2PKM
SCHEMBL8200678 0.87 IDO1 (0.49) IDO1ALDH1A1TSHRSMN1; SMN2PKM
SCHEMBL6987134 0.82 IDO1 (0.49) IDO1ALDH1A1SMN1; SMN2MAPTTDP1
SCHEMBL6996145 0.81 IDO1 (0.46) IDO1ALDH1A1TSHRSMN1; SMN2MAPT
SCHEMBL6988361 0.80 IDO1 (0.49) IDO1ALDH1A1TSHRSMN1; SMN2PKM
SCHEMBL6994606 0.80 CA12 (0.42) IDO1ALDH1A1TSHRSMN1; SMN2PKM
SCHEMBL6993230 0.78 IDO1 (0.45) IDO1ALDH1A1SMN1; SMN2MAPTTDP1
SCHEMBL6991814 0.77 IDO1 (0.45) IDO1ALDH1A1MAPTGAAKDM4E
SCHEMBL6990915 0.76 IDO1 (0.43) IDO1ALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL6989592 0.72 IDO1 (0.42) IDO1TSHRSMN1; SMN2MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0779281-B1 ISOXAZOLES SANKYO CO (JP) 2003-10-29 EP disclosed
US-6096771-A ISOXAZOLE DERIVATIVES EXHIBITING EXCELLENT TYPE B AND TYPE A MONOAMINE OXIDASE INHIBITORY ACTIVITIES, THEREFORE USEFUL FOR PREVENTING PARKINSON'S DISEASE, DEPRESSION AND ALZHEIMER'S DISEASE SANKYO COMPANY, LIMITED (JP) 2000-08-01 US disclosed
US-5965591-A MONOAMINE OXIDASE INHIBITOR; FOR PROPHYLAXIS AND TREATING PARKINSON'S DISEASE, DEPRESSION AND ALZHEIMER'S DISEASE SANKYO COMPANY, LIMITED (JP) 1999-10-12 US disclosed
EP-0779281-A1 ISOXAZOLES SANKYO COMPANY LIMITED (JP) 1997-06-18 EP disclosed