SCHEMBL17058509

SCHEMBL17058509

CC1(COc2c(N3CCN(OSCc4ccccc4F)CC3)cnn(-c3ccccc3)c2=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.40
▸ LMNA P02545 4/20 0.40
▸ POLB P06746 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ MAPT P10636 2/20 0.37
▸ RAB9A P51151 4/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ ALDH1A1 P00352 7/20 0.36
▸ DCTPP1 Q9H773 3/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ SLC2A1 P11166 2/20 0.35
▸ SLC2A3 P11169 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ MCL1 Q07820 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ PPARG P37231 1/20 0.34
▸ NCOA2 Q15596 1/20 0.34
▸ NCOA1 Q15788 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
SCHEMBL17058230 0.82 SMN1; SMN2 (0.58) SMN1; SMN2LMNAPOLBKMT2AMAPT
SCHEMBL17058192 0.80 SMN1; SMN2 (0.47) SMN1; SMN2LMNAPOLBKMT2AMAPT
SCHEMBL17058030 0.80 SMN1; SMN2 (0.47) SMN1; SMN2LMNAPOLBKMT2AMAPT
SCHEMBL17058147 0.78 SMN1; SMN2 (0.39) SMN1; SMN2LMNAPOLBKMT2AMAPT
SCHEMBL17057895 0.78 RAB9A (0.44) SMN1; SMN2LMNAPOLBKMT2AMAPT
SCHEMBL17058114 0.77 ALDH1A1 (0.61) SMN1; SMN2LMNAPOLBKMT2AMAPT
SCHEMBL11945338 0.76 POLB (0.49) SMN1; SMN2LMNAPOLBKMT2AMAPT
SCHEMBL17058008 0.75 SMN1; SMN2 (0.38) SMN1; SMN2LMNAPOLBKMT2AMAPT
SCHEMBL17058535 0.75 SMN1; SMN2 (0.35) SMN1; SMN2LMNAPOLBKMT2AMAPT
SCHEMBL17058342 0.74 MAPT (0.50) 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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