SCHEMBL17058009

SCHEMBL17058009

CC(c1ccccc1)[S@@+]([O-])N1CCN(c2cnn(-c3ccccc3)c(=O)c2OCc2ccccc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 1/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ LMNA P02545 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ ALDH1A1 P00352 5/20 0.40
▸ MCHR1 Q99705 4/20 0.40
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ DCTPP1 Q9H773 4/20 0.39
▸ GAA P10253 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ NPBWR1 P48145 4/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL17058157 0.83 SMN1; SMN2 (0.42) MAPK14SMN1; SMN2LMNAPOLBKMT2A
SCHEMBL17058156 0.82 ALDH1A1 (0.44) MAPK14SMN1; SMN2LMNAPOLBKMT2A
SCHEMBL17057976 0.82 MAPK14 (0.42) MAPK14SMN1; SMN2LMNAPOLBKMT2A
SCHEMBL17057934 0.81 MAPK14 (0.47) MAPK14SMN1; SMN2LMNAPOLBKMT2A
SCHEMBL11944535 0.79 MAPT (0.53) MAPK14SMN1; SMN2LMNAPOLBKMT2A
SCHEMBL17058175 0.79 MAPK14 (0.41) MAPK14SMN1; SMN2LMNAPOLBKMT2A
SCHEMBL14082616 0.79 HTR1A (0.52) MAPK14SMN1; SMN2LMNAPOLBKMT2A
SCHEMBL17058364 0.79 DCTPP1 (0.41) MAPK14SMN1; SMN2LMNAPOLBKMT2A
SCHEMBL17057935 0.79 MCHR1 (0.36) SMN1; SMN2LMNAPOLBKMT2AMAPT
SCHEMBL17058081 0.79 SMN1; SMN2 (0.42) SMN1; SMN2LMNAPOLBKMT2AMAPT

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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