SCHEMBL18834345

SCHEMBL18834345

CCCS(=O)(=O)c1nc2c(c(=O)n(CCC3(OC)CC3)c(=O)n2C)n1Cc1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.44
▸ LMNA P02545 3/20 0.44
▸ TSHR P16473 4/20 0.44
▸ POLB P06746 2/20 0.44
▸ TRPC4 Q9UBN4 2/20 0.43
▸ TRPC5 Q9UL62 2/20 0.43
▸ TRPC1 P48995 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ NPSR1 Q6W5P4 3/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ ATM Q13315 1/20 0.41
▸ HTT P42858 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ GAA P10253 1/20 0.40

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
SCHEMBL16028370 0.88 MAPT (0.46) MAPTLMNATSHRPOLBTRPC4
SCHEMBL16028545 0.82 TRPC5 (0.57) MAPTLMNATSHRPOLBTRPC4
SCHEMBL18834344 0.82 TSHR (0.58) MAPTLMNATSHRPOLBALDH1A1
SCHEMBL16028251 0.81 ATM (0.48) MAPTLMNATSHRPOLBTRPC4
SCHEMBL18833997 0.80 ATM (0.47) MAPTLMNATSHRPOLBTRPC4
SCHEMBL16028630 0.78 TRPC5 (0.56) MAPTLMNATSHRPOLBTRPC4
SCHEMBL19375535 0.76 MAPT (0.51) MAPTLMNATSHRPOLBTRPC4
SCHEMBL16028357 0.75 TRPC5 (0.60) MAPTLMNATSHRPOLBTRPC4
SCHEMBL16028600 0.74 TRPC5 (0.48) MAPTTSHRTRPC4TRPC5TRPC1
SCHEMBL16076250 0.73 ATM (0.62) MAPTLMNATSHRPOLBALDH1A1

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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