SCHEMBL10879313

SCHEMBL10879313

NCOc1cccc2cccnc12

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.60
MAPT P10636 5/20 0.60
NPC1 O15118 4/20 0.58
LMNA P02545 3/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
KDM4E B2RXH2 6/20 0.55
GAA P10253 1/20 0.55
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
MAPK1 P28482 1/20 0.54
CYP2C19 P33261 1/20 0.54
POLB P06746 1/20 0.53
PSMD14 O00487 1/20 0.52
COPS5 Q92905 1/20 0.52

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
SCHEMBL334906 0.85 MAPT (0.66) RAB9AMAPTNPC1LMNAMEN1
Hydrochloric Acid SCHEMBL5838247 0.84 MAPT (0.64) RAB9AMAPTNPC1LMNAMEN1
Hydrochloric Acid SCHEMBL9051173 0.84 MAPT (0.64) RAB9AMAPTNPC1LMNAMEN1
SCHEMBL16854230 0.84 RAB9A (0.65) RAB9AMAPTNPC1LMNAMEN1
SCHEMBL6027132 0.81 NPC1 (0.77) RAB9AMAPTNPC1LMNAMEN1
SCHEMBL27947083 0.81 RAB9A (0.63) RAB9AMAPTNPC1LMNAMEN1
SCHEMBL5586004 0.81 RAB9A (0.60) RAB9AMAPTNPC1LMNAMEN1
SCHEMBL21691150 0.81 RAB9A (0.60) RAB9AMAPTNPC1LMNAMEN1
SCHEMBL1101347 0.81 MAPT (0.68) RAB9AMAPTNPC1LMNAMEN1
SCHEMBL27919535 0.81 LMNA (0.63) RAB9AMAPTNPC1LMNAMEN1

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-0063736-B1 USE OF DIHYDROXY PYRIDINES AS COUPLERS IN OXIDATION HAIR DYES, AND HAIR DYEING PREPARATION Henkel Kommanditgesellschaft auf Aktien (DE) 1986-01-08 EP disclosed