SCHEMBL6930205

SCHEMBL6930205

CN1N=C(c2ccn[nH]2)C(O)(O)C1=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
COMT P21964 4/20 0.40
IDO1 P14902 1/20 0.34
CYP4F2 P78329 2/20 0.34
CYP4A11 Q02928 2/20 0.34
LRRK2 Q5S007 1/20 0.34
MAPT P10636 2/20 0.33
SCN4A P35499 2/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PDPK1 O15530 1/20 0.33
CD74 P04233 1/20 0.32
MIF P14174 1/20 0.32
NOTUM Q6P988 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
HPGDS O60760 2/20 0.32

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
SCHEMBL6933828 0.81 COMT (0.34) COMTIDO1CYP4F2CYP4A11LRRK2
SCHEMBL6930288 0.81 MAPT (0.36) COMTIDO1CYP4F2CYP4A11LRRK2
SCHEMBL6934256 0.81 COMT (0.38) COMTIDO1CYP4F2CYP4A11LRRK2
SCHEMBL6935522 0.79 NPC1 (0.38) COMTMAPTNPC1ALDH1A1POLB
SCHEMBL6931200 0.72 BACE1 (0.38) MAPTALDH1A1SMN1; SMN2
SCHEMBL6930686 0.70 BACE1 (0.40) COMTNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL6933471 0.69 ALDH1A1 (0.33) MAPTNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL6933167 0.66 KMT2A (0.39) MAPTNPC1ALDH1A1POLBRAB9A
SCHEMBL6933850 0.66 HPGD (0.44) MAPTNPC1ALDH1A1POLBRAB9A
SCHEMBL6933153 0.66 KMT2A (0.42) MAPTALDH1A1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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