SCHEMBL17058086

SCHEMBL17058086

CN1CCN(c2cnn(-c3ccccc3)c(=O)c2OCCCC(F)(F)F)CC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.56
▸ LMNA P02545 1/20 0.56
▸ POLB P06746 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ MAPT P10636 1/20 0.44
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ DCTPP1 Q9H773 4/20 0.43
▸ ALDH1A1 P00352 6/20 0.43
▸ GAA P10253 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.42
▸ NPBWR1 P48145 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ MCHR1 Q99705 1/20 0.38

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
SCHEMBL17058112 0.89 SMN1; SMN2 (0.43) SMN1; SMN2LMNAPOLBKMT2AMAPT
SCHEMBL13304481 0.85 SMN1; SMN2 (0.61) SMN1; SMN2LMNAPOLBKMT2AMAPT
SCHEMBL11943539 0.83 SMN1; SMN2 (0.58) SMN1; SMN2LMNAPOLBKMT2AMAPT
SCHEMBL14080981 0.82 SMN1; SMN2 (0.56) SMN1; SMN2LMNAPOLBKMT2AMAPT
SCHEMBL17058230 0.79 SMN1; SMN2 (0.58) SMN1; SMN2LMNAPOLBKMT2AMAPT
SCHEMBL11944717 0.79 ALDH1A1 (0.52) SMN1; SMN2LMNAPOLBKMT2AMAPT
SCHEMBL17058128 0.78 SMN1; SMN2 (0.39) SMN1; SMN2LMNAPOLBKMT2AMAPT
SCHEMBL11943871 0.78 MAPT (0.55) SMN1; SMN2LMNAPOLBKMT2AMAPT
SCHEMBL17057882 0.77 SMN1; SMN2 (0.47) SMN1; SMN2LMNAPOLBKMT2AMAPT
SCHEMBL11943879 0.77 MAPT (0.52) 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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