SCHEMBL7806919

SCHEMBL7806919

OCc1nc2ccc(OCc3ccncc3)cc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.55
MAOA P21397 4/20 0.55
TDP1 Q9NUW8 1/20 0.50
NPSR1 Q6W5P4 1/20 0.46
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
GAA P10253 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
FGFR1 P11362 1/20 0.45
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
RHEB Q15382 2/20 0.42
POLB P06746 1/20 0.41

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
Hydrochloric Acid SCHEMBL8474025 0.99 MAOB (0.54) MAOBMAOATDP1NPSR1RAB9A
SCHEMBL7806914 0.90 NPC1 (0.45) MAOBMAOATDP1RAB9ANPC1
Hydrochloric Acid SCHEMBL8474019 0.88 NPC1 (0.44) MAOBMAOATDP1NPSR1RAB9A
SCHEMBL7811241 0.87 MAOB (0.58) MAOBMAOATDP1NPSR1RAB9A
SCHEMBL7810247 0.85 RAB9A (0.63) MAOBMAOATDP1RAB9ANPC1
SCHEMBL7807037 0.82 TDP1 (0.54) MAOBTDP1NPSR1GRIN1GRIN2B
Hydrochloric Acid SCHEMBL8480113 0.81 TDP1 (0.52) TDP1NPSR1KMT2AGRIN1GRIN2B
SCHEMBL4470392 0.77 NPC1 (0.52) MAOBMAOATDP1RAB9ANPC1
SCHEMBL7811237 0.76 NPC1 (0.54) MAOBMAOARAB9ANPC1SMN1; SMN2
SCHEMBL31284816 0.76 F10 (0.61) TDP1NPSR1RAB9ANPC1SMN1; SMN2

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
EP-0820990-B1 Benzimidazole, benzoxazole, and benzothiazole derivatives useful as interleukin 1beta inhibitors ADIR (FR) 2001-01-17 EP claimed
EP-0820990-A2 Novel benzimidazole, benzoxazole, and benzothiazole derivatives useful as interleukin 1beta inhibitors ADIR ET COMPAGNIE (FR) 1998-01-28 EP claimed
EP-0820990-B1 Benzimidazole, benzoxazole, and benzothiazole derivatives useful as interleukin 1beta inhibitors ADIR (FR) 2001-01-17 EP disclosed
EP-0820990-A2 Novel benzimidazole, benzoxazole, and benzothiazole derivatives useful as interleukin 1beta inhibitors ADIR ET COMPAGNIE (FR) 1998-01-28 EP disclosed