SCHEMBL6985525

SCHEMBL6985525

NCCSc1noc2cccc(F)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDAH1 O94760 1/20 0.39
ADRA2C P18825 1/20 0.39
IDO1 P14902 2/20 0.35
KDR P35968 5/20 0.33
FLT3 P36888 4/20 0.33
AURKB Q96GD4 4/20 0.33
MAP4K4 O95819 2/20 0.33
PDGFRB P09619 2/20 0.33
PIM1 P11309 2/20 0.33
FGFR1 P11362 2/20 0.33
PDGFRA P16234 2/20 0.33
PRKACA P17612 2/20 0.33
LTK P29376 2/20 0.33
GRK5 P34947 2/20 0.33
CDK8 P49336 2/20 0.33
CDK7 P50613 2/20 0.33
CDK9 P50750 2/20 0.33
LIMK1 P53667 2/20 0.33
MAP2K1 Q02750 2/20 0.33
ACVR1 Q04771 2/20 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
SCHEMBL6991893 0.84 DDAH1 (0.39) DDAH1ADRA2CIDO1KDRFLT3
SCHEMBL6989219 0.83 DDAH1 (0.38) DDAH1ADRA2CKDRFLT3AURKB
SCHEMBL6985579 0.83 DDAH1 (0.38) DDAH1ADRA2CKDRFLT3AURKB
SCHEMBL6989180 0.80 KCNA5 (0.43) DDAH1ADRA2CKDRFLT3AURKB
SCHEMBL6993891 0.79 IDO1 (0.36) DDAH1ADRA2CIDO1
Hydrochloric Acid SCHEMBL6986907 0.78 IDO1 (0.36) DDAH1ADRA2CIDO1
SCHEMBL6989436 0.76 IDO1 (0.34) IDO1
SCHEMBL6994467 0.76 CA12 (0.46) DDAH1ADRA2CCYP1A2CYP3A4CYP2D6
SCHEMBL6986380 0.75 KIF11 (0.33) DDAH1ADRA2CIDO1KIF11
Hydrochloric Acid SCHEMBL6997263 0.75 IDO1 (0.34) IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0779281-B1 ISOXAZOLES SANKYO CO (JP) 2003-10-29 EP claimed
EP-0779281-A1 ISOXAZOLES SANKYO COMPANY LIMITED (JP) 1997-06-18 EP claimed
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