SCHEMBL17058296

SCHEMBL17058296

CC(Oc1c(N2CCN([S+]([O-])Cc3ccccc3)CC2)cnn(-c2ccccc2)c1=O)c1c(F)cccc1F

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.39
▸ LMNA P02545 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ ALDH1A1 P00352 7/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ NPC1 O15118 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ DCTPP1 Q9H773 4/20 0.37
▸ SLC2A1 P11166 1/20 0.36
▸ SLC2A3 P11169 1/20 0.36
▸ MCHR1 Q99705 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.35
▸ GAA P10253 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
SCHEMBL17057899 0.84 SMN1; SMN2 (0.40) SMN1; SMN2LMNAPOLBKMT2AMAPT
SCHEMBL11943947 0.82 MAPT (0.52) SMN1; SMN2LMNAPOLBKMT2AMAPT
SCHEMBL11943930 0.80 ALDH1A1 (0.48) SMN1; SMN2LMNAPOLBKMT2AMAPT
SCHEMBL11945034 0.79 ALDH1A1 (0.55) SMN1; SMN2LMNAPOLBKMT2AMAPT
SCHEMBL17058545 0.79 SMN1; SMN2 (0.41) SMN1; SMN2LMNAPOLBKMT2AMAPT
SCHEMBL17058503 0.78 SMN1; SMN2 (0.39) SMN1; SMN2LMNAPOLBKMT2AMAPT
SCHEMBL17058333 0.78 POLB (0.38) SMN1; SMN2LMNAPOLBKMT2AMAPT
SCHEMBL17057868 0.77 POLB (0.38) SMN1; SMN2LMNAPOLBKMT2AMAPT
SCHEMBL17058046 0.77 NPC1 (0.38) SMN1; SMN2LMNAPOLBKMT2AMAPT
SCHEMBL17058077 0.77 NPC1 (0.38) 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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