SCHEMBL17058325

SCHEMBL17058325

Cc1ccc([S+](C)[O-])cc1[S+]([O-])N1CCN(c2cnn(-c3ccccc3)c(=O)c2OC2CCCC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.38
▸ LMNA P02545 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NPC1 O15118 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ ALDH1A1 P00352 5/20 0.36
▸ DCTPP1 Q9H773 4/20 0.35
▸ MAPT P10636 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ MCHR1 Q99705 2/20 0.34
▸ NPBWR1 P48145 1/20 0.34
▸ PFKFB3 Q16875 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL17058377 0.82 SMN1; SMN2 (0.46) SMN1; SMN2LMNAPOLBKMT2ANPC1
SCHEMBL17058183 0.79 NPC1 (0.44) SMN1; SMN2LMNAPOLBKMT2ANPC1
SCHEMBL17058138 0.76 POLB (0.41) SMN1; SMN2LMNAPOLBKMT2ANPC1
SCHEMBL17058258 0.75 SMN1; SMN2 (0.41) SMN1; SMN2LMNAPOLBKMT2ANPC1
SCHEMBL17058102 0.75 SMN1; SMN2 (0.48) SMN1; SMN2LMNAPOLBKMT2ANPC1
SCHEMBL17058283 0.74 MAPT (0.40) SMN1; SMN2LMNAPOLBKMT2ANPC1
SCHEMBL14899744 0.74 SMN1; SMN2 (0.47) SMN1; SMN2LMNAPOLBKMT2ANPC1
SCHEMBL17058057 0.74 MAPT (0.41) SMN1; SMN2LMNAPOLBKMT2ANPC1
SCHEMBL11944421 0.73 ALDH1A1 (0.65) SMN1; SMN2LMNAPOLBKMT2ANPC1
SCHEMBL17058302 0.73 NPC1 (0.48) SMN1; SMN2LMNAPOLBKMT2ANPC1

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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