SCHEMBL8948580

SCHEMBL8948580

O=C1[CH]Oc2[c]cccc21

nearest known ligand 0.31

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
IDO1 P14902 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
CDC25B P30305 1/20 0.31
AKT1 P31749 1/20 0.31
SNCA P37840 1/20 0.31
MAP2K1 Q02750 1/20 0.31
PIN1 Q13526 1/20 0.31
EHMT2 Q96KQ7 1/20 0.31
NSD1 Q96L73 1/20 0.31
EHMT1 Q9H9B1 1/20 0.31

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
SCHEMBL3673942 0.66 CDC25B (0.41) ALOX15TDP1IDO1MAOAMAOB
SCHEMBL556070 0.64 TDP1 (0.48) ALOX15TDP1IDO1MAOAMAOB
SCHEMBL9366483 0.64 MEN1 (0.46) ALOX15TDP1IDO1MAOAMAOB
SCHEMBL8388612 0.63 TYMS (0.36) TDP1IDO1
SCHEMBL10885954 0.63 MAOB (0.39) MAOAMAOB
SCHEMBL5506572 0.61 CDC25B (0.55) ALOX15TDP1IDO1MAOAMAOB
SCHEMBL157676 0.61 IDO1 (0.50) ALOX15TDP1IDO1MAOAMAOB
SCHEMBL136078 0.61 CDC25B (0.55) ALOX15TDP1IDO1MAOAMAOB
SCHEMBL2016518 0.61 TDP1 (0.50) ALOX15TDP1MAOAMAOBCDC25B
SCHEMBL18844 0.61 S100A4 (0.52) ALOX15TDP1IDO1MAOAMAOB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5521147-A HERBICIDES FMC CORPORATION (US) 1996-05-28 US disclosed
WO-1995005079-A1 3-(BENZOFURAN-7-YL)-6-HALOALKYLURACILS FMC CORPORATION (US) 1995-02-23 WO disclosed