SCHEMBL8304928

SCHEMBL8304928

C1=NCCN1Nc1n[nH]c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.48
TRPA1 O75762 1/20 0.44
ACHE P22303 1/20 0.42
MAPK10 P53779 11/20 0.42
MAPK8 P45983 7/20 0.41
FADS1 O60427 2/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 2/20 0.41
PDPK1 O15530 1/20 0.41
CYP3A4 P08684 1/20 0.41
AURKA O14965 1/20 0.40
LRRK2 Q5S007 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ALPL P05186 1/20 0.39
IDO1 P14902 1/20 0.39
HPGD P15428 1/20 0.39
TTK P33981 1/20 0.39

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
SCHEMBL6502392 0.78 MAPK10 (0.52) ADRA2ATRPA1ACHEMAPK10MAPK8
SCHEMBL8953013 0.73 KDM4E (0.42) ADRA2ATRPA1ACHEMAPK10MAPK8
SCHEMBL11700794 0.69 KDM4E (0.57) ADRA2ATRPA1MAPK10FADS1KDM4E
SCHEMBL11756891 0.69 TRPA1 (0.54) ADRA2ATRPA1ACHEMAPK10FADS1
SCHEMBL15392392 0.69 TRPA1 (0.54) ADRA2ATRPA1ACHEMAPK10MAPK8
SCHEMBL7452500 0.69 TRPA1 (0.54) ADRA2ATRPA1ACHEMAPK10MAPK8
SCHEMBL31032755 0.69 TRPA1 (0.54) ADRA2ATRPA1ACHEMAPK10FADS1
SCHEMBL7172053 0.69 TRPA1 (0.54) ADRA2ATRPA1MAPK10FADS1KDM4E
SCHEMBL11784173 0.68 TSHR (0.48) ACHEGAACYP3A4ALDH1A1HPGD
SCHEMBL6583705 0.68 POLB (0.37) KDM4EAURKAALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1244864-A 2-imidazolinylaminoindazole compounds useful as alpha-2 adrenoceptor agonists PROCTER & GAMBLE (US) 2000-02-16 CN disclosed
CN-1244864-A 2-imidazolinylaminoindazole compounds useful as alpha-2 adrenoceptor agonists PROCTER & GAMBLE (US) 2000-02-16 CN disclosed
EP-0944620-A1 2-IMIDAZOLINYLAMINOINDAZOLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1999-09-29 EP disclosed
WO-1998023609-A1 2-IMIDAZOLINYLAMINOINDAZOLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1998-06-04 WO disclosed
US-4036976-A ANTIHYPERTENSIVE AGENTS SANDOZ, INC. (US) 1977-07-19 US disclosed