SCHEMBL18166765

SCHEMBL18166765

Cn1c(=O)c2c(ncn2CC(=O)Nc2nnc(-c3ccccc3)s2)n(C)c1=O

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.78
▸ RXFP1 Q9HBX9 5/20 0.67
▸ PORCN Q9H237 3/20 0.67
▸ CYP1A2 P05177 1/20 0.64
▸ ALDH1A1 P00352 3/20 0.63
▸ CYP2C9 P11712 1/20 0.62
▸ HPGD P15428 1/20 0.62
▸ CYP2C19 P33261 1/20 0.62
▸ HTT P42858 1/20 0.62
▸ ALOX15 P16050 1/20 0.61
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ NPSR1 Q6W5P4 1/20 0.60
▸ TP53 P04637 2/20 0.60
▸ MAPK1 P28482 1/20 0.59
▸ LMNA P02545 1/20 0.59
▸ TSHR P16473 1/20 0.57

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
SCHEMBL18166637 0.90 HSD17B10 (0.67) HSD17B10RXFP1PORCNCYP1A2ALDH1A1
SCHEMBL18166715 0.90 HSD17B10 (0.67) HSD17B10RXFP1PORCNCYP1A2ALDH1A1
SCHEMBL18166658 0.85 HSD17B10 (0.66) HSD17B10RXFP1PORCNCYP1A2ALDH1A1
SCHEMBL18166668 0.84 HSD17B10 (0.64) HSD17B10RXFP1PORCNCYP1A2ALDH1A1
SCHEMBL9972920 0.83 MAPT (0.77) HSD17B10RXFP1PORCNCYP1A2ALDH1A1
SCHEMBL10114180 0.83 PORCN (0.76) RXFP1PORCNCYP1A2ALDH1A1ALOX15
SCHEMBL17626209 0.82 PORCN (0.65) HSD17B10RXFP1PORCNCYP1A2ALDH1A1
SCHEMBL10114556 0.82 HSD17B10 (0.62) HSD17B10RXFP1PORCNCYP1A2ALDH1A1
SCHEMBL4533692 0.82 RXFP1 (0.78) RXFP1PORCNCYP1A2ALDH1A1HTT
SCHEMBL15727746 0.82 HSD17B10 (0.75) HSD17B10RXFP1CYP1A2ALDH1A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3663295-A1 2,6-DIOXO,-2,3-DIHYDRO-1H-PURINE COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO THE ACTIVITY OF THE TRPA1 CHANNEL ELI LILLY AND CO. (US) 2020-06-10 — — EP disclosed
EP-3184527-A1 2,6-DIOXO,-2,3-DIHYDRO-1H-PURINE COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO THE ACTIVITY OF THE TRPA1 CHANNEL Hydra Biosciences, Inc. (US) 2017-06-28 — — EP disclosed
EP-2170309-B1 2,6-DIOXO,-2,3-DIHYDRO-1H-PURINE COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO THE ACTIVITY OF THE TRPA1 CHANNEL HYDRA BIOSCIENCES INC (US) 2016-10-26 — — EP disclosed
CN-101801362-B Methods and compositions for treating disorders HYDRA BIOSCIENCES INC 2014-01-22 — — CN disclosed
CN-101801362-A methods and compositions for treating disorders HYDRA BIOSCIENCES INC 2010-08-11 — — CN disclosed
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