SCHEMBL9685901

SCHEMBL9685901

Cc1coc(CNc2ncccc2[N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.57
NPC1 O15118 8/20 0.55
RAB9A P51151 7/20 0.50
MAPT P10636 6/20 0.50
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
NFKB1 P19838 2/20 0.43
MAPK1 P28482 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43

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 0.81 PKM (0.61) PKMNPC1RAB9AMAPTLMNA
SCHEMBL8560755 0.80 PKM (0.57) PKMNPC1RAB9AMAPTLMNA
SCHEMBL9539135 0.79 NPC1 (0.74) PKMNPC1RAB9AMAPTLMNA
SCHEMBL9543716 0.76 PKM (0.58) PKMNPC1RAB9AMAPTLMNA
SCHEMBL4034758 0.75 NPC1 (0.62) PKMNPC1RAB9AMAPTLMNA
SCHEMBL4989679 0.75 PKM (0.57) PKMNPC1RAB9AMAPTLMNA
SCHEMBL1738419 0.74 NPC1 (0.74) PKMNPC1RAB9AMAPTLMNA
SCHEMBL31631301 0.74 NPC1 (0.74) PKMNPC1RAB9AMAPTLMNA
SCHEMBL8560189 0.74 PKM (0.56) PKMNPC1RAB9AMAPTLMNA
Methyl Alcohol SCHEMBL10640492 0.74 NPC1 (0.70) PKMNPC1RAB9AMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1029964-C Novel N-(4-piperidinyl) Bicyclic condensed 2-imidazolamine derivatives JANSSEN PHARMACEUTICA NV (BE) 1995-10-11 CN disclosed
EP-0295742-B1 NOVEL N-(4-PIPERIDINYL) BICYCLIC CONDENSED 2-IMIDAZOLAMINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1992-08-26 EP disclosed
US-5006527-A Antihistamines, antiallergens JANSSEN PHARMACEUTICA N.V. (BE) 1991-04-09 US disclosed
US-4897401-A N-(4-piperidinyl) bicyclic condensed 2-imidazolamine derivatives useful in treating allergic diseases JANSSEN PHARMACEUTICAL N.V. (BE) 1990-01-30 US disclosed
CN-88103784-A N- (4-piperidinyl) bicyclic condensed 2-imidazolamine derivatives 1988-12-28 CN disclosed
EP-0295742-A1 Novel N-(4-piperidinyl) bicyclic condensed 2-imidazolamine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1988-12-21 EP disclosed