SCHEMBL11784173

SCHEMBL11784173

C1=NCCN1Nc1nc2ccccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
ALOX15 P16050 2/20 0.47
CYP1A2 P05177 1/20 0.47
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
SMN1; SMN2 Q16637 7/20 0.44
RAB9A P51151 6/20 0.44
TP53 P04637 2/20 0.44
CYP3A4 P08684 1/20 0.44
LMNA P02545 1/20 0.44
ALDH1A1 P00352 3/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HPGD P15428 1/20 0.43
POLB P06746 1/20 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
SCHEMBL11786450 0.80 MAP2K7 (0.35) TSHRALOX15CYP1A2ALDH1A1GAA
SCHEMBL1535710 0.78 BCHE (0.54) TSHRALOX15CYP1A2BCHEACHE
SCHEMBL1495342 0.76 BCHE (0.57) TSHRALOX15CYP1A2BCHEACHE
SCHEMBL6583705 0.73 POLB (0.37) CYP1A2SMN1; SMN2RAB9AALDH1A1MAPT
SCHEMBL8952775 0.72 BCHE (0.55) BCHEACHESMN1; SMN2RAB9ATP53
SCHEMBL28050241 0.70 RAB9A (0.68) ALOX15CYP1A2BCHESMN1; SMN2RAB9A
SCHEMBL1036360 0.70 LMNA (0.34) CYP1A2CYP3A4LMNAALDH1A1MAPT
SCHEMBL28728369 0.69 RAB9A (0.66) ALOX15CYP1A2BCHESMN1; SMN2RAB9A
SCHEMBL861074 0.69 RAB9A (0.49) ALOX15BCHESMN1; SMN2RAB9ATP53
SCHEMBL8214299 0.69 RAB9A (0.46) ALOX15SMN1; SMN2RAB9ATP53LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1256691-A 5-(2-imidazolinylamino) benzimidazole compounds useful as alpha-2 adrenoceptor agonists PROCTER & GAMBLE (US) 2000-06-14 CN disclosed
US-3935314-A Anti-hypertensive compositions of benzimidazole derivatives BEECHAM GROUP LIMITED (EN) 1976-01-27 US disclosed