SCHEMBL6935522

SCHEMBL6935522

Cc1ccc(N2N=C(c3ccn[nH]3)C(O)(O)C2=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 2/20 0.38
ALDH1A1 P00352 1/20 0.38
P2RY14 Q15391 1/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
COMT P21964 6/20 0.35
AURKA O14965 1/20 0.34
MAPK1 P28482 1/20 0.33
BTK Q06187 1/20 0.33
BCAT2 O15382 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
ELANE P08246 1/20 0.32
TP53 P04637 1/20 0.31

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
SCHEMBL6930205 0.79 COMT (0.40) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL6936525 0.78 GAA (0.39) RAB9ASMN1; SMN2MAPTPOLBALDH1A1
SCHEMBL6934256 0.75 COMT (0.38) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL6930288 0.75 MAPT (0.36) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL6933828 0.75 COMT (0.34) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL8489121 0.74 APP (0.43) RAB9ASMN1; SMN2MAPTALDH1A1MAPK1
SCHEMBL6738532 0.73 SMN1; SMN2 (0.41) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL6928227 0.73 SMN1; SMN2 (0.43) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL6934453 0.72 MAPT (0.43) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL6931093 0.72 MAPT (0.43) NPC1RAB9ASMN1; SMN2MAPTALDH1A1

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