SCHEMBL21737191

SCHEMBL21737191

CCc1ccc(N2CCCC2)cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.45
ALDH1A1 P00352 5/20 0.45
HSD17B10 Q99714 2/20 0.45
MEN1 O00255 1/20 0.45
ALOX15 P16050 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
RORC P51449 4/20 0.44
HPGD P15428 4/20 0.41
KDM4E B2RXH2 3/20 0.41
RAB9A P51151 3/20 0.41
TSHR P16473 2/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
DRD2 P14416 1/20 0.41

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
SCHEMBL12073501 0.86 KDM4E (0.51) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL18609842 0.86 MAPT (0.45) MAPTALDH1A1HSD17B10MEN1ALOX15
SCHEMBL19368422 0.85 CHRNA7 (0.50) MAPTALDH1A1RORCMAPK1DRD2
SCHEMBL22242861 0.85 SMN1; SMN2 (0.41) MAPTALDH1A1HSD17B10MEN1ALOX15
SCHEMBL1599647 0.82 MAPT (0.45) MAPTALDH1A1HSD17B10MEN1ALOX15
SCHEMBL19155171 0.81 RORC (0.55) MAPTALDH1A1HSD17B10RORCKDM4E
SCHEMBL7907757 0.81 KDM4E (0.44) MAPTALDH1A1HSD17B10MEN1ALOX15
SCHEMBL1599621 0.81 HTT (0.46) MAPTALDH1A1HSD17B10MEN1ALOX15
SCHEMBL21736813 0.80 HPGD (0.53) MAPTALDH1A1HSD17B10MEN1ALOX15
SCHEMBL19155074 0.79 CTSK (0.51) RORCRORB

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
EP-3611165-B1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT MITSUI CHEMICALS CROP & LIFE SOLUTIONS INC (JP) 2023-08-16 EP disclosed
EP-3611165-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 EP disclosed