SCHEMBL11262249

SCHEMBL11262249

NCC(O)CNc1ccc2c(=O)[nH][nH]c(=O)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ PARP15 Q460N3 4/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ BRAF P15056 1/20 0.33
▸ TLR4 O00206 1/20 0.33
▸ AR P10275 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ PARP10 Q53GL7 1/20 0.33
▸ ROCK2 O75116 1/20 0.32
▸ PSEN1 P49768 1/20 0.32
▸ PSEN2 P49810 1/20 0.32
▸ APH1B Q8WW43 1/20 0.32
▸ NCSTN Q92542 1/20 0.32
▸ APH1A Q96BI3 1/20 0.32
▸ PSENEN Q9NZ42 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL3069941 0.76 PIK3CD (0.47) PIK3CDHSD17B10KDM4EPARP15TDP1
SCHEMBL3088454 0.74 PIK3CD (0.51) PIK3CDHSD17B10KDM4EPARP15TDP1
SCHEMBL3277310 0.73 HSD17B10 (0.46) PIK3CDHSD17B10KDM4EPARP15TDP1
SCHEMBL6953743 0.73 PIK3CD (0.40) PIK3CDHSD17B10KDM4EPARP15TDP1
SCHEMBL3090005 0.73 PIK3CD (0.53) PIK3CDHSD17B10KDM4EPARP15TDP1
SCHEMBL438637 0.73 AR (0.47) PIK3CDHSD17B10KDM4EPARP15TDP1
SCHEMBL5917486 0.72 KDM4E (0.52) PIK3CDHSD17B10KDM4EPARP15TDP1
SCHEMBL11374146 0.70 EPHX1 (0.42) HSD17B10KDM4ETDP1MAPTALDH1A1
SCHEMBL8057185 0.69 CA12 (0.44) PIK3CDHSD17B10KDM4EPARP15TDP1
SCHEMBL6955664 0.69 IP6K1 (0.43) PIK3CDKDM4EAR

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
US-4363759-A PHOTOSENSITIVE MILES LABORATORIES, INC. (US) 1982-12-14 — — US disclosed
US-4355165-A CHEMILUMIMESCENCE, IMMUNOASSAY MILES LABORATORIES, INC. (US) 1982-10-19 — — US disclosed
US-4261893-A INTERMEDIATES IN SYNTHESIS OF CHEMILUMINESCENT-LABELED CONJUGATES USED IN IMMUNOASSAYS MILES LABORATORIES, INC. (US) 1981-04-14 — — US disclosed
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