SCHEMBL8057185

SCHEMBL8057185

C=CCNc1ccc2c(=O)[nH][nH]c(=O)c2c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ CASR P41180 1/20 0.41
▸ PIK3CD O00329 1/20 0.40
▸ DHFR P00374 2/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ PARP15 Q460N3 7/20 0.39
▸ PARP10 Q53GL7 7/20 0.39
▸ HSD17B10 Q99714 1/20 0.36
▸ PARP3 Q9Y6F1 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ BRAF P15056 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
SCHEMBL438637 0.77 AR (0.47) CASRPIK3CDKDM4EALDH1A1PARP15
SCHEMBL3069941 0.75 PIK3CD (0.47) PIK3CDKDM4EPARP15PARP10HSD17B10
SCHEMBL6953743 0.75 PIK3CD (0.40) PIK3CDKDM4EPARP15PARP10HSD17B10
SCHEMBL3090005 0.71 PIK3CD (0.53) PIK3CDKDM4EALDH1A1PARP15PARP10
SCHEMBL99646 0.71 CA12 (0.65) CA12CA1CA2CA9KDM4E
SCHEMBL3277310 0.71 HSD17B10 (0.46) PIK3CDKDM4EALDH1A1RAB9APARP15
SCHEMBL7070839 0.71 KDM4E (0.50) PIK3CDKDM4EPARP15PARP10HSD17B10
SCHEMBL5775239 0.70 CA12 (0.50) CA12CA1CA2CA9CASR
SCHEMBL11045211 0.70 CASP3 (0.53) CA12CA1CA2CA9KDM4E
SCHEMBL13144114 0.70 KDM4E (0.59) KDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0516948-B1 Chemiluminescent method and compositions LUMIGEN INC (US) 2000-05-31 — — EP claimed
EP-0516948-B1 Chemiluminescent method and compositions LUMIGEN INC (US) 2000-05-31 — — EP disclosed
EP-0516948-A1 Chemiluminescent method and compositions LUMIGEN, INC. (US) 1992-12-09 — — EP disclosed
Send feedback