SCHEMBL9852614

SCHEMBL9852614

C#CCOc1nc2ccc(F)cc2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.47
AXL P30530 1/20 0.47
PTGS1 P23219 2/20 0.46
PTGS2 P35354 2/20 0.46
MAPT P10636 4/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 2/20 0.44
PKM P14618 1/20 0.44
ALOX12 P18054 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NPC1 O15118 5/20 0.41
APP P05067 5/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
PDPK1 O15530 1/20 0.40
DYRK1A Q13627 1/20 0.40

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
SCHEMBL11117595 0.82 PTGS1 (0.47) PTGS1PTGS2MAPTALDH1A1KDM4E
SCHEMBL7074465 0.78 PTGS1 (0.54) PTGS1PTGS2ALDH1A1MEN1KMT2A
SCHEMBL10446089 0.78 GFER (0.49) GFERAXLPTGS1PTGS2MAPT
SCHEMBL10445819 0.77 GFER (0.47) GFERAXLPTGS1PTGS2MAPT
SCHEMBL11117152 0.73 MAOB (0.41) PTGS1PTGS2MAPTMAPK1RAB9A
SCHEMBL11113691 0.73 LOXL2 (0.48) PTGS1PTGS2NPC1RAB9ASMN1; SMN2
SCHEMBL9852620 0.72 GAA (0.35) PTGS1PTGS2MAPTALDH1A1MEN1
SCHEMBL30230180 0.69 EPHX2 (0.50) GFERAXLMAPTALDH1A1KDM4E
SCHEMBL9255622 0.68 GFER (0.66) GFERAXLMAPTALDH1A1KDM4E
SCHEMBL1903862 0.68 EPHX2 (0.52) GFERAXLPTGS1PTGS2MAPT

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-0444764-A1 Process and intermediates for the preparation of substituted 1-benzothiazolyl-3,4-dimethyl-3-pyrrolin-2,5(1H)-diones SCHERING AKTIENGESELLSCHAFT (DE) 1991-09-04 EP disclosed