SCHEMBL14408384

SCHEMBL14408384

CCOc1nccnc1-c1cc2cc3c4c(c2oc1=O)CCCN4CCC3

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC16A3 O15427 1/20 0.52
▸ USP2 O75604 7/20 0.52
▸ CASP1 P29466 6/20 0.52
▸ CASP7 P55210 5/20 0.52
▸ BRCA1 P38398 2/20 0.52
▸ HBB P68871 2/20 0.52
▸ TP53 P04637 2/20 0.52
▸ ALDH1A1 P00352 10/20 0.47
▸ MEN1 O00255 8/20 0.47
▸ KMT2A Q03164 8/20 0.47
▸ LMNA P02545 7/20 0.47
▸ KDM4E B2RXH2 6/20 0.47
▸ GAA P10253 5/20 0.47
▸ MAPT P10636 5/20 0.47
▸ TDP1 Q9NUW8 3/20 0.47
▸ RECQL P46063 3/20 0.47
▸ TLR9 Q9NR96 1/20 0.47
▸ HSD17B10 Q99714 6/20 0.41
▸ HPGD P15428 4/20 0.41
▸ ATM Q13315 2/20 0.41

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
SCHEMBL14408368 0.78 USP2 (0.58) SLC16A3USP2CASP1CASP7BRCA1
SCHEMBL4309506 0.77 USP2 (0.61) SLC16A3USP2CASP1CASP7BRCA1
SCHEMBL24384558 0.76 SLC16A3 (0.58) SLC16A3USP2CASP1CASP7BRCA1
SCHEMBL13066982 0.76 SLC16A3 (0.70) SLC16A3USP2CASP1CASP7BRCA1
SCHEMBL24384531 0.75 SLC16A3 (0.60) SLC16A3USP2CASP1CASP7BRCA1
SCHEMBL14325926 0.75 SLC16A3 (0.62) SLC16A3USP2CASP1CASP7BRCA1
SCHEMBL13432142 0.75 USP2 (0.63) SLC16A3USP2CASP1CASP7BRCA1
SCHEMBL13129922 0.74 SLC16A3 (0.65) SLC16A3USP2CASP1CASP7BRCA1
SCHEMBL13050804 0.74 SLC16A3 (0.70) SLC16A3USP2CASP1CASP7BRCA1
SCHEMBL29370055 0.74 SLC16A3 (0.70) SLC16A3USP2CASP1CASP7BRCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7270938-B2 Photopolymerizable composition, light sensitive planographic printing plate material and manufacturing method of planographic printing plate KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2007-09-18 — — US disclosed
US-7270938-B2 Photopolymerizable composition, light sensitive planographic printing plate material and manufacturing method of planographic printing plate KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2007-09-18 — — US disclosed
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