SCHEMBL9543716

SCHEMBL9543716

O=[N+]([O-])c1cccnc1NCc1ccc(CO)o1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.58
NPC1 O15118 5/20 0.53
MAPT P10636 6/20 0.51
RAB9A P51151 5/20 0.51
LMNA P02545 1/20 0.49
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
DPP4 P27487 1/20 0.43
DPP7 Q9UHL4 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42

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
SCHEMBL9387888 0.79 PKM (0.61) PKMNPC1MAPTRAB9ALMNA
SCHEMBL9540982 0.79 MAPT (0.52) PKMNPC1MAPTRAB9ALMNA
SCHEMBL8560755 0.79 PKM (0.57) PKMNPC1MAPTRAB9ALMNA
SCHEMBL9387471 0.77 CLK4 (0.38) PKMMAPTLMNASMN1; SMN2KMT2A
SCHEMBL9690882 0.76 MAPT (0.68) PKMNPC1MAPTRAB9ALMNA
SCHEMBL9685901 0.76 PKM (0.57) PKMNPC1MAPTRAB9ALMNA
SCHEMBL31631301 0.75 NPC1 (0.74) PKMNPC1MAPTRAB9ALMNA
SCHEMBL1738419 0.75 NPC1 (0.74) PKMNPC1MAPTRAB9ALMNA
Methyl Alcohol SCHEMBL10640492 0.75 NPC1 (0.70) PKMNPC1MAPTRAB9ALMNA
SCHEMBL9388019 0.74 ALDH1A1 (0.46) PKMMAPTRAB9ALMNABCHE

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
WO-1993014088-A1 ANTIHISTAMINIC PIPERAZINYL DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1993-07-22 WO disclosed