SCHEMBL6991890

SCHEMBL6991890

NCCSNc1noc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 9/20 0.44
TP53 P04637 5/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
KCNA5 P22460 1/20 0.43
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
LMNA P02545 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
MAOB P27338 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA13 Q8N1Q1 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
CHRNA7 P36544 2/20 0.39
HTR3A P46098 2/20 0.39

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
SCHEMBL6994467 0.72 CA12 (0.46) EPHX2SMN1; SMN2CA12CA1CA2
SCHEMBL6990576 0.72 EPHX2 (0.44) EPHX2TP53SMN1; SMN2KCNA5CA12
SCHEMBL6989217 0.70 LMNA (0.51) TP53SMN1; SMN2CA12CA1CA2
SCHEMBL3516609 0.69 EPHX2 (0.51) EPHX2TP53SMN1; SMN2KCNA5CA12
SCHEMBL27409292 0.69 EPHX2 (0.44) EPHX2TP53SMN1; SMN2KCNA5CA12
SCHEMBL11450556 0.69 EPHX2 (0.54) EPHX2TP53SMN1; SMN2KCNA5CHRNA7
SCHEMBL4715978 0.69 EPHX2 (0.54) EPHX2TP53SMN1; SMN2KCNA5CHRNA7
SCHEMBL30298447 0.69 EPHX2 (0.54) EPHX2TP53SMN1; SMN2KCNA5CHRNA7
SCHEMBL6989177 0.67 FAAH (0.50) EPHX2TP53SMN1; SMN2KCNA5CA12
SCHEMBL6992132 0.67 CA12 (0.38) EPHX2TP53SMN1; SMN2KCNA5CA12

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