SCHEMBL14080974

SCHEMBL14080974

CCOCCCNc1c(N2CCN(C(=O)CNBOC)CC2)cnn(-c2ccccc2)c1=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.44
DCTPP1 Q9H773 3/20 0.44
RXFP1 Q9HBX9 1/20 0.44
SMN1; SMN2 Q16637 6/20 0.42
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.37
KDM4E B2RXH2 2/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL11943590 0.88 ALDH1A1 (0.47) ALDH1A1DCTPP1RXFP1SMN1; SMN2MAPT
SCHEMBL11943540 0.87 ALDH1A1 (0.45) ALDH1A1DCTPP1RXFP1SMN1; SMN2MAPT
SCHEMBL11943581 0.87 ALDH1A1 (0.46) ALDH1A1DCTPP1RXFP1SMN1; SMN2MAPT
SCHEMBL11943588 0.86 ALDH1A1 (0.49) ALDH1A1DCTPP1RXFP1SMN1; SMN2MAPT
SCHEMBL11943258 0.85 ALDH1A1 (0.45) ALDH1A1DCTPP1RXFP1SMN1; SMN2MAPT
SCHEMBL14899775 0.85 SIGMAR1 (0.46) ALDH1A1DCTPP1RXFP1SMN1; SMN2MAPT
SCHEMBL11943584 0.83 ALDH1A1 (0.46) ALDH1A1DCTPP1RXFP1SMN1; SMN2MAPT
SCHEMBL11943583 0.83 ALDH1A1 (0.47) ALDH1A1DCTPP1RXFP1SMN1; SMN2MAPT
SCHEMBL13304479 0.83 SMN1; SMN2 (0.55) ALDH1A1DCTPP1RXFP1SMN1; SMN2MAPT
SCHEMBL13304382 0.80 ALDH1A1 (0.46) ALDH1A1DCTPP1RXFP1SMN1; SMN2MAPT

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
WO-2008115381-A1 PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS SCHERING CORPORATION (US) 2008-09-25 WO disclosed