SCHEMBL18833997

SCHEMBL18833997

CCCS(=O)(=O)c1nc2c(c(=O)n(CCC(O)CC)c(=O)n2C)n1Cc1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.47
▸ MAPT P10636 6/20 0.46
▸ TSHR P16473 3/20 0.46
▸ POLB P06746 2/20 0.46
▸ TRPC4 Q9UBN4 2/20 0.45
▸ TRPC5 Q9UL62 2/20 0.45
▸ TRPC1 P48995 1/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ LMNA P02545 4/20 0.45
▸ HIF1A Q16665 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ TP53 P04637 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ ALOX12 P18054 1/20 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
SCHEMBL16028251 0.93 ATM (0.48) ATMMAPTTSHRPOLBTRPC4
SCHEMBL19375535 0.87 MAPT (0.51) ATMMAPTTSHRPOLBTRPC4
SCHEMBL16028545 0.86 TRPC5 (0.57) ATMMAPTTSHRPOLBTRPC4
SCHEMBL18834564 0.84 TSHR (0.53) ATMMAPTTSHRPOLBTRPC4
SCHEMBL16028370 0.83 MAPT (0.46) ATMMAPTTSHRPOLBTRPC4
SCHEMBL20432232 0.83 NPSR1 (0.37) MAPTTSHRPOLBRAB9ALMNA
SCHEMBL16028630 0.81 TRPC5 (0.56) ATMMAPTTSHRPOLBTRPC4
SCHEMBL18833996 0.81 TSHR (0.61) ATMMAPTTSHRLMNAALDH1A1
SCHEMBL18834345 0.80 MAPT (0.44) ATMMAPTTSHRPOLBTRPC4
SCHEMBL16028357 0.79 TRPC5 (0.60) ATMMAPTTSHRPOLBTRPC4

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-2970303-B3 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2018-08-01 — — EP disclosed
EP-2970303-B9 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2017-09-20 — — EP disclosed
EP-2970303-B1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2017-05-10 — — EP disclosed
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