SCHEMBL9690882

SCHEMBL9690882

O=[N+]([O-])c1cccnc1NCCO

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.68
NPC1 O15118 5/20 0.68
RAB9A P51151 5/20 0.68
LMNA P02545 1/20 0.64
PKM P14618 2/20 0.57
CYP1A2 P05177 2/20 0.54
CYP3A4 P08684 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
CASP3 P42574 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
DPP4 P27487 1/20 0.54
DPP7 Q9UHL4 1/20 0.54
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 2/20 0.47
POLB P06746 2/20 0.47

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
SCHEMBL6657973 0.91 LMNA (0.68) MAPTNPC1RAB9ALMNAPKM
SCHEMBL14099477 0.84 MAPT (0.68) MAPTNPC1RAB9ALMNAPKM
SCHEMBL7369725 0.84 MAPT (0.68) MAPTNPC1RAB9ALMNAPKM
SCHEMBL8288918 0.82 LMNA (0.64) MAPTNPC1RAB9ALMNAPKM
SCHEMBL29306419 0.81 LMNA (0.64) MAPTNPC1RAB9ALMNAPKM
SCHEMBL5848968 0.81 LMNA (0.75) MAPTNPC1RAB9ALMNAPKM
SCHEMBL13964086 0.81 NPC1 (0.62) MAPTNPC1RAB9ALMNAPKM
SCHEMBL4034758 0.81 NPC1 (0.62) MAPTNPC1RAB9ALMNAPKM
SCHEMBL9977934 0.81 MAPT (0.63) MAPTNPC1RAB9ALMNAPKM
SCHEMBL9392247 0.81 NPC1 (1.00) MAPTNPC1RAB9ALMNAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0294074-B1 DIHYDROPYRIDINE ANTI-ALLERGIC AND ANTI-INFLAMMATORY AGENTS Pfizer Limited (GB) 1992-04-08 EP disclosed
US-4851412-A ASTHMA, ARTHRITIS PFIZER INC. (US) 1989-07-25 US disclosed
EP-0294074-A1 Dihydropyridine anti-allergic and anti-inflammatory agents Pfizer Limited (GB) 1988-12-07 EP disclosed