SCHEMBL3268281

SCHEMBL3268281

Cc1ccc(-c2csc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)n2)c(C)c1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.74
▸ LMNA P02545 1/20 0.72
▸ SMN1; SMN2 Q16637 1/20 0.72
▸ RXFP1 Q9HBX9 5/20 0.61
▸ CYP1A2 P05177 1/20 0.57
▸ TP53 P04637 1/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ TSHR P16473 1/20 0.53
▸ ATM Q13315 1/20 0.53
▸ THRB P10828 1/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ POLB P06746 1/20 0.51
▸ PORCN Q9H237 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51

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
SCHEMBL18166649 0.90 SMN1; SMN2 (0.82) MAPTLMNASMN1; SMN2RXFP1CYP1A2
SCHEMBL10114097 0.89 MAPT (0.75) MAPTLMNASMN1; SMN2RXFP1CYP1A2
SCHEMBL10114670 0.88 MAPT (0.82) MAPTLMNASMN1; SMN2RXFP1CYP1A2
SCHEMBL18166595 0.86 MAPT (0.80) MAPTLMNASMN1; SMN2RXFP1CYP1A2
SCHEMBL27793543 0.86 MAPT (0.79) MAPTLMNASMN1; SMN2RXFP1CYP1A2
SCHEMBL3264586 0.85 SMN1; SMN2 (0.81) MAPTLMNASMN1; SMN2RXFP1CYP1A2
SCHEMBL18166699 0.85 MAPT (0.75) MAPTLMNASMN1; SMN2RXFP1CYP1A2
SCHEMBL10114087 0.85 MAPT (1.00) MAPTLMNASMN1; SMN2RXFP1CYP1A2
SCHEMBL18166611 0.84 SMN1; SMN2 (0.80) MAPTLMNASMN1; SMN2RXFP1CYP1A2
SCHEMBL18166617 0.84 SMN1; SMN2 (0.79) MAPTLMNASMN1; SMN2RXFP1CYP1A2

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 4 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
WO-2010036821-A1 METHODS AND COMPOSITIONS FOR TREATING RESPIRATORY DISORDERS HYDRA BIOSCIENCES, INC. (US) 2010-04-01 — — WO disclosed
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