SCHEMBL18166728

SCHEMBL18166728

COc1ccccc1-c1csc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)n1

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.79
▸ SMN1; SMN2 Q16637 1/20 0.79
▸ ALOX15 P16050 1/20 0.68
▸ MAPT P10636 2/20 0.66
▸ RXFP1 Q9HBX9 3/20 0.60
▸ TP53 P04637 1/20 0.60
▸ CYP1A2 P05177 1/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ HPGD P15428 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ KDM4E B2RXH2 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ USP2 O75604 1/20 0.55
▸ MAPK1 P28482 1/20 0.54
▸ GAA P10253 1/20 0.54

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
SCHEMBL18166739 0.92 SMN1; SMN2 (0.77) LMNASMN1; SMN2ALOX15MAPTRXFP1
SCHEMBL18166750 0.91 SMN1; SMN2 (0.75) LMNASMN1; SMN2ALOX15MAPTRXFP1
SCHEMBL18166627 0.89 SMN1; SMN2 (0.68) LMNASMN1; SMN2ALOX15MAPTRXFP1
SCHEMBL18166649 0.89 SMN1; SMN2 (0.82) LMNASMN1; SMN2ALOX15MAPTRXFP1
SCHEMBL18166725 0.88 SMN1; SMN2 (0.81) LMNASMN1; SMN2ALOX15MAPTRXFP1
SCHEMBL18166620 0.88 SMN1; SMN2 (1.00) LMNASMN1; SMN2ALOX15MAPTRXFP1
SCHEMBL18166722 0.88 SMN1; SMN2 (0.81) LMNASMN1; SMN2ALOX15MAPTRXFP1
SCHEMBL18166680 0.87 SMN1; SMN2 (0.82) LMNASMN1; SMN2ALOX15MAPTRXFP1
SCHEMBL9972920 0.86 MAPT (0.77) LMNASMN1; SMN2ALOX15MAPTRXFP1
SCHEMBL18166679 0.86 MAPT (0.77) LMNASMN1; SMN2ALOX15MAPTRXFP1

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-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
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