SCHEMBL13177355

SCHEMBL13177355

O=NCC1=C(c2ccccc2F)CCCC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GALR1 P47211 1/20 0.36
SLC9A1 P19634 1/20 0.33
DHODH Q02127 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL2108126 0.78 GALR1 (0.35) GALR1HCAR2KDM4E
SCHEMBL2108531 0.78 HCAR2 (0.36) GALR1SLC9A1DHODHHCAR2ALDH1A1
SCHEMBL2619818 0.77 GALR1 (0.34) GALR1DHODHHCAR2ALDH1A1
SCHEMBL2108726 0.77 HCAR2 (0.38) GALR1SLC9A1DHODHHCAR2ALDH1A1
SCHEMBL2108564 0.75 GALR1 (0.35) GALR1DHODHKDM4EMAPT
SCHEMBL2108548 0.75 MAPT (0.36) GALR1DHODHHCAR2ALDH1A1KDM4E
SCHEMBL21346644 0.75 NISCH (0.35) GALR1DHODHALDH1A1KDM4EMAPT
SCHEMBL13177462 0.71 SMN1; SMN2 (0.39) DHODHHCAR2ALDH1A1KDM4EMAPT
SCHEMBL2619798 0.69 IDO1 (0.44) ALDH1A1
SCHEMBL2619819 0.68 IDO1 (0.43) ALDH1A1

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-2233474-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2010-09-29 EP disclosed