SCHEMBL7742100

SCHEMBL7742100

Cc1c(NC2NCCN2)cc(F)c2cccnc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.38
NPC1 O15118 2/20 0.38
HSP90AA1 P07900 1/20 0.38
SLC40A1 Q9NP59 8/20 0.38
KDM4E B2RXH2 4/20 0.36
MPI P34949 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
PKM P14618 1/20 0.35
IDO1 P14902 1/20 0.35
RECQL P46063 1/20 0.35
TDO2 P48775 1/20 0.35
BLM P54132 1/20 0.35
CASP6 P55212 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL8117244 0.82 SLC40A1 (0.44) L3MBTL1NPC1HSP90AA1SLC40A1MEN1
SCHEMBL7743448 0.81 SLC40A1 (0.40) L3MBTL1NPC1HSP90AA1SLC40A1ALDH1A1
Hydrochloric Acid SCHEMBL8111469 0.81 SLC40A1 (0.43) L3MBTL1NPC1HSP90AA1SLC40A1KDM4E
SCHEMBL7742096 0.76 CCR1 (0.42) L3MBTL1NPC1HSP90AA1SLC40A1KDM4E
SCHEMBL7742097 0.75 ADRA2A (0.55) KDM4EALDH1A1LMNAMAPTBLM
Hydrochloric Acid SCHEMBL8690217 0.75 CCR1 (0.41) L3MBTL1NPC1HSP90AA1SLC40A1KDM4E
SCHEMBL6950540 0.74
Hydrochloric Acid SCHEMBL6967224 0.73
SCHEMBL28892158 0.72 L3MBTL1 (0.55) L3MBTL1NPC1HSP90AA1SLC40A1KDM4E
SCHEMBL7742104 0.72 KDM4E (0.37) L3MBTL1NPC1HSP90AA1SLC40A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6423724-B1 PREVENTION, THERAPY DISEASE THE PROCTER & GAMBLE COMPANY 2002-07-23 US disclosed
US-5916900-A TREATMENT OF NASAL CONGESTION, ASTHMA, COUGH, CARDIOVASCULAR DISORDERS, OCULAR DISORDERS, GASTROINTESTINAL DISORDERS, MIGRAINES, SUSBSTANCE ABUSE THE PROCTER & GAMBLE COMPANY (US) 1999-06-29 US disclosed
US-5716966-A RESPIRATORY SYSTEM DISORDERS; VISION DEFECTS; GASTROINTESTINAL DISORDERS THE PROCTER & GAMBLE COMPANY (US) 1998-02-10 US disclosed
US-5576437-A 7-(2-imidazolnylamino) quinoline compounds useful as alpha-2 adrenoceptor agonists THE PROCTER & GAMBLE COMPANY (US) 1996-11-19 US disclosed
EP-0734261-A1 7-(2-IMIDAZOLINYLAMINO)QUINOLINE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1996-10-02 EP disclosed
WO-1995020386-A1 7-(2-IMIDAZOLINYLAMINO)QUINOLINE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1995-08-03 WO disclosed