SCHEMBL14899802

SCHEMBL14899802

CCOCCOc1c(N2CCN(S(=O)O)CC2)cnn(-c2ccccc2)c1=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.46
▸ DCTPP1 Q9H773 4/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ MAPT P10636 1/20 0.45
▸ SMN1; SMN2 Q16637 5/20 0.43
▸ LMNA P02545 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ GAA P10253 1/20 0.41
▸ NPBWR1 P48145 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ PFKFB3 Q16875 1/20 0.37
▸ MCHR1 Q99705 1/20 0.36

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
SCHEMBL11943539 0.87 SMN1; SMN2 (0.58) ALDH1A1DCTPP1RXFP1MAPTSMN1; SMN2
SCHEMBL13776973 0.85 MAPT (0.47) ALDH1A1DCTPP1RXFP1MAPTSMN1; SMN2
SCHEMBL11943546 0.84 MAPT (0.45) ALDH1A1DCTPP1RXFP1MAPTSMN1; SMN2
SCHEMBL11943891 0.83 ALDH1A1 (0.61) ALDH1A1DCTPP1RXFP1MAPTSMN1; SMN2
SCHEMBL11944374 0.83 ALDH1A1 (0.57) ALDH1A1DCTPP1RXFP1MAPTSMN1; SMN2
SCHEMBL11943939 0.81 MAPT (0.52) ALDH1A1DCTPP1RXFP1MAPTSMN1; SMN2
SCHEMBL11945091 0.81 MAPT (0.52) ALDH1A1DCTPP1RXFP1MAPTSMN1; SMN2
SCHEMBL11945060 0.81 MAPT (0.57) ALDH1A1DCTPP1RXFP1MAPTSMN1; SMN2
SCHEMBL11945198 0.80 MAPT (0.52) ALDH1A1DCTPP1RXFP1MAPTSMN1; SMN2
SCHEMBL11944695 0.80 MAPT (0.52) ALDH1A1DCTPP1RXFP1MAPTSMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2586778-A2 Pyridazinone derivatives useful as glucan synthase inhibitors Merck Sharp & Dohme Corp. (US) 2013-05-01 — — EP disclosed
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