SCHEMBL8611307

SCHEMBL8611307

O=[N+]([O-])c1cccc2c1CC(c1c[nH]cn1)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
MAPT P10636 4/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPK1 P28482 1/20 0.34
ACHE P22303 1/20 0.33
PDE10A Q9Y233 1/20 0.33
TDP1 Q9NUW8 3/20 0.33
PNMT P11086 1/20 0.32
CYP3A4 P08684 2/20 0.32
HSD17B10 Q99714 2/20 0.32
TXNRD1 Q16881 1/20 0.32
TXNRD3 Q86VQ6 1/20 0.32
TXNRD2 Q9NNW7 1/20 0.32
POLB P06746 1/20 0.32
ALOX15 P16050 1/20 0.32
GPR35 Q9HC97 1/20 0.32
MAPK10 P53779 1/20 0.32

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
SCHEMBL7681696 0.77 ADRA1A (0.34) PNMTCYP1A2TSHRNPSR1
SCHEMBL8616078 0.77 SLC18A3 (0.36)
SCHEMBL7644557 0.77 DRD2 (0.39) CHRNB2CHRNA4
SCHEMBL5827498 0.76 PNMT (0.47) PNMT
SCHEMBL5827252 0.75 ADRA1A (0.44) CHRNB2CHRNA4MEN1KMT2ARECQL
Hydrochloric Acid SCHEMBL8614363 0.74 ADRA1A (0.43) CHRNB2CHRNA4MEN1KMT2ARECQL
SCHEMBL7909196 0.74 ACHE (0.42) CHRNB2CHRNA4MAPTALDH1A1MEN1
SCHEMBL5621945 0.70 CHRNB2 (0.39) CHRNB2CHRNA4MAPTALDH1A1MEN1
SCHEMBL14458459 0.70 CHRNB2 (0.39) CHRNB2CHRNA4MAPTALDH1A1MEN1
SCHEMBL11444096 0.68 TDP1 (0.42) CHRNB2CHRNA4MAPTALDH1A1MEN1

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-0618906-B1 SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR PREPARATION AND USE JUVANTIA PHARMA LTD OY (FI) 1998-04-22 EP disclosed
US-5498623-A MULTISTAGE REACTION FOR HALOGENATION OF COMPOUNDS, NITRATION, REDUCTION AND CONVERSION TO DIAZONIUM SALT THEN HALOGENATION FOR COGNITIVE DISORDERS ORION-YHTYMA OY (FI) 1996-03-12 US disclosed
EP-0618906-A1 SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR PREPARATION AND USE ANTII SAKARI HAAPALINNA (FI) 1994-10-12 EP disclosed
WO-1993013074-A1 SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR PREPARATION AND USE Orion-Yhtymä Oy (FI) 1993-07-08 WO disclosed