SCHEMBL17058486

SCHEMBL17058486

CCCC(C)SN1CCN(c2cnn(-c3ccccc3)c(=O)c2OC2CCCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.42
▸ MCHR1 Q99705 2/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ LMNA P02545 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ ALDH1A1 P00352 6/20 0.39
▸ DCTPP1 Q9H773 4/20 0.39
▸ RXFP1 Q9HBX9 2/20 0.38
▸ NPBWR1 P48145 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.34
▸ PPARG P37231 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ NCOA2 Q15596 1/20 0.34
▸ NCOA1 Q15788 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CA12 O43570 1/20 0.34

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
SCHEMBL17058372 0.85 SMN1; SMN2 (0.47) MAPTMCHR1SMN1; SMN2LMNAPOLB
SCHEMBL14899744 0.84 SMN1; SMN2 (0.47) MAPTMCHR1SMN1; SMN2LMNAPOLB
SCHEMBL17058302 0.83 NPC1 (0.48) MAPTMCHR1SMN1; SMN2LMNAPOLB
SCHEMBL17058281 0.82 SMN1; SMN2 (0.43) MAPTMCHR1SMN1; SMN2LMNAPOLB
SCHEMBL17058311 0.82 SMN1; SMN2 (0.47) MAPTMCHR1SMN1; SMN2LMNAPOLB
SCHEMBL17057953 0.81 SMN1; SMN2 (0.47) MAPTMCHR1SMN1; SMN2LMNAPOLB
SCHEMBL14899793 0.81 MCHR1 (0.43) MAPTMCHR1SMN1; SMN2LMNAPOLB
SCHEMBL14899745 0.79 MCHR1 (0.40) MAPTMCHR1SMN1; SMN2LMNAPOLB
SCHEMBL17058102 0.79 SMN1; SMN2 (0.48) MAPTMCHR1SMN1; SMN2LMNAPOLB
SCHEMBL11944101 0.79 ALDH1A1 (0.51) MAPTMCHR1SMN1; SMN2LMNAPOLB

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-2137179-B1 PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS MERCK SHARP & DOHME (US) 2015-09-02 — — EP disclosed
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