SCHEMBL18166643

SCHEMBL18166643

Cc1csc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)n1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 3/20 0.72
▸ MAPT P10636 2/20 0.70
▸ LMNA P02545 1/20 0.68
▸ SMN1; SMN2 Q16637 1/20 0.68
▸ CYP1A2 P05177 1/20 0.62
▸ KMT2A Q03164 2/20 0.62
▸ MEN1 O00255 1/20 0.62
▸ TP53 P04637 1/20 0.60
▸ THRB P10828 1/20 0.60
▸ POLB P06746 1/20 0.58
▸ KDM4E B2RXH2 1/20 0.58
▸ PORCN Q9H237 1/20 0.58
▸ HSD17B10 Q99714 1/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ TRPA1 O75762 1/20 0.58

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
SCHEMBL18166677 0.88 RXFP1 (0.70) RXFP1MAPTLMNASMN1; SMN2CYP1A2
SCHEMBL27793543 0.87 MAPT (0.79) RXFP1MAPTLMNASMN1; SMN2CYP1A2
SCHEMBL10114670 0.85 MAPT (0.82) RXFP1MAPTLMNASMN1; SMN2CYP1A2
SCHEMBL16440384 0.85 MAPT (0.73) RXFP1MAPTLMNASMN1; SMN2CYP1A2
SCHEMBL18166618 0.85 MAPT (0.79) RXFP1MAPTLMNASMN1; SMN2CYP1A2
SCHEMBL18166709 0.85 SMN1; SMN2 (0.73) RXFP1MAPTLMNASMN1; SMN2CYP1A2
SCHEMBL10114097 0.85 MAPT (0.75) RXFP1MAPTLMNASMN1; SMN2CYP1A2
SCHEMBL9972920 0.84 MAPT (0.77) RXFP1MAPTLMNASMN1; SMN2CYP1A2
SCHEMBL18166649 0.84 SMN1; SMN2 (0.82) RXFP1MAPTLMNASMN1; SMN2CYP1A2
SCHEMBL18166597 0.84 RXFP1 (1.00) RXFP1MAPTLMNASMN1; SMN2CYP1A2

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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