SCHEMBL6930358

SCHEMBL6930358

O=C1N(c2ccccc2)N=C(C(F)(F)F)C1(O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
POLB P06746 2/20 0.37
ALDH1A1 P00352 5/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
MAPT P10636 3/20 0.36
LOX P28300 2/20 0.36
SHMT2 P34897 1/20 0.36
CES2 O00748 2/20 0.36
CYP1A2 P05177 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CHRM2 P08172 1/20 0.36
CYP3A4 P08684 1/20 0.36
CHRM1 P11229 1/20 0.36
TSHR P16473 1/20 0.36
PTGS1 P23219 1/20 0.36
DRD3 P35462 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LOXL3 P58215 1/20 0.35

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
SCHEMBL6932525 0.84 LOX (0.46) GAASMN1; SMN2POLBALDH1A1MEN1
SCHEMBL9234143 0.81 SMN1; SMN2 (0.46) GAASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL17290822 0.78 SMN1; SMN2 (0.43) GAASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL17291086 0.78 SMN1; SMN2 (0.41) GAASMN1; SMN2POLBALDH1A1MEN1
SCHEMBL6931466 0.73 SMN1; SMN2 (0.41) GAASMN1; SMN2POLBALDH1A1MEN1
SCHEMBL6930354 0.73 POLB (0.46) GAASMN1; SMN2POLBALDH1A1MEN1
SCHEMBL6932549 0.71 GAA (0.43) GAASMN1; SMN2POLBALDH1A1MEN1
SCHEMBL6932807 0.71 SMN1; SMN2 (0.42) GAASMN1; SMN2POLBALDH1A1MEN1
SCHEMBL6930285 0.69 SMN1; SMN2 (0.43) GAASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL6933128 0.68 RECQL (0.32) L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0903342-B1 4,4-Dihydroxypyrazolin-5-one compounds, procedures for their preparation and their use as cosmetics OREAL (FR) 2003-12-17 EP claimed
US-5958382-A ARTIFICIAL TANNING AND/OR COLORING OF HUMAN SKIN AND/OR HAIR SOCIETE L'OREAL S.A. (FR) 1999-09-28 US claimed
EP-0903342-A1 4,4-Dihydroxypyrazolin-5-one compounds, procedures for their preparation and their use as cosmetics L'OREAL (FR) 1999-03-24 EP claimed
EP-0903342-B1 4,4-Dihydroxypyrazolin-5-one compounds, procedures for their preparation and their use as cosmetics OREAL (FR) 2003-12-17 EP disclosed
US-5958382-A ARTIFICIAL TANNING AND/OR COLORING OF HUMAN SKIN AND/OR HAIR SOCIETE L'OREAL S.A. (FR) 1999-09-28 US disclosed
EP-0903342-A1 4,4-Dihydroxypyrazolin-5-one compounds, procedures for their preparation and their use as cosmetics L'OREAL (FR) 1999-03-24 EP disclosed