SCHEMBL6583703

SCHEMBL6583703

c1ccc2[nH]c(NC3NCCN3)cc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 3/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CASP3 P42574 1/20 0.38
KMT2A Q03164 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.37
FLT3 P36888 1/20 0.37
CYP2A6 P11509 1/20 0.37
CA12 O43570 1/20 0.36

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
SCHEMBL8792860 0.79 FLT3 (0.43) AOC3NPC1RAB9AALDH1A1KDM4E
SCHEMBL27787928 0.76 KDM4C (0.46) AOC3KDM4EMAPTHSD17B10GAA
SCHEMBL651959 0.75 KDM4C (0.49) AOC3NPC1RAB9AALDH1A1KDM4E
SCHEMBL27075383 0.73 AOC3 (0.52) AOC3NPC1RAB9AALDH1A1KDM4E
SCHEMBL28488611 0.71 AOC3 (0.50) AOC3NPC1RAB9AALDH1A1KDM4E
SCHEMBL28361785 0.71 CNR2 (0.35) AOC3NPC1RAB9AALDH1A1KDM4E
SCHEMBL29587209 0.71 AHR (0.44) ALDH1A1KDM4EMAPTFLT3CYP2A6
SCHEMBL21047739 0.71 AHR (0.44) ALDH1A1KDM4EMAPTFLT3CYP2A6
SCHEMBL31232953 0.70 FLT3 (0.48) AOC3NPC1RAB9AALDH1A1KDM4E
SCHEMBL29636187 0.70 AOC3 (0.48) AOC3NPC1RAB9AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0944621-B1 2-IMIDAZOLINYLAMINOINDOLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS PROCTER & GAMBLE (US) 2004-09-01 EP disclosed
CN-1092652-C 2-imidazolinylaminoindole compounds useful as alpha-2 adrenoceptor agonists PROCTER & GAMBLE (US) 2002-10-16 CN disclosed
US-6395764-B1 NOSAL DECONGESTION, RESPIRATORY SYSTEM DISORDERS THE PROCTER & GAMBLE COMPANY 2002-05-28 US disclosed
US-6395764-B1 NOSAL DECONGESTION, RESPIRATORY SYSTEM DISORDERS THE PROCTER & GAMBLE COMPANY 2002-05-28 US disclosed
US-6162818-A 2-imidazolinylaminoindole compounds useful as alpha-2 adrenoceptor agonists THE PROCTER & GAMBLE COMPANY (US) 2000-12-19 US disclosed
US-6162818-A 2-imidazolinylaminoindole compounds useful as alpha-2 adrenoceptor agonists THE PROCTER & GAMBLE COMPANY (US) 2000-12-19 US disclosed
CN-1238771-A 2-imidazolinylaminoindole compounds useful as alpha-2 adrenoceptor agonists PROCTER & GAMBLE (US) 1999-12-15 CN disclosed
EP-0944621-A1 2-IMIDAZOLINYLAMINOINDOLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1999-09-29 EP disclosed
WO-1998023610-A1 2-IMIDAZOLINYLAMINOINDOLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1998-06-04 WO disclosed