SCHEMBL7743445

SCHEMBL7743445

Cc1c(N)cc(C#N)c2cccnc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 3/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ HSP90AB1 P08238 2/20 0.42
▸ IDO1 P14902 1/20 0.42
▸ PSMB5 P28074 1/20 0.42
▸ LRRK2 Q5S007 1/20 0.41
▸ SLC40A1 Q9NP59 1/20 0.39
▸ NSD2 O96028 2/20 0.39
▸ CASP6 P55212 1/20 0.39
▸ G6PD P11413 1/20 0.39
▸ CCR1 P32246 1/20 0.39
▸ CCR8 P51685 1/20 0.39
▸ MMP14 P50281 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ APAF1 O14727 1/20 0.38
▸ TDP2 O95551 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CASP3 P42574 1/20 0.38

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
SCHEMBL27002527 0.81 L3MBTL1 (0.46) HSP90AA1NPC1L3MBTL1HSP90AB1LRRK2
SCHEMBL11973624 0.77 MEN1 (0.54) HSP90AA1NPC1L3MBTL1HSP90AB1IDO1
SCHEMBL3194949 0.77 HSP90AA1 (0.56) HSP90AA1NPC1L3MBTL1HSP90AB1IDO1
SCHEMBL24713060 0.76 KDM4E (0.42) NSD2MEN1ALDH1A1MAPTKMT2A
SCHEMBL9029872 0.76 PRMT5 (0.45) HSP90AA1NPC1L3MBTL1HSP90AB1IDO1
SCHEMBL7742986 0.76 APLNR (0.41) HSP90AA1NPC1L3MBTL1LRRK2SLC40A1
SCHEMBL7743581 0.76 L3MBTL1 (0.50) HSP90AA1NPC1L3MBTL1HSP90AB1IDO1
SCHEMBL3525315 0.73 MEN1 (0.49) HSP90AA1NPC1L3MBTL1LRRK2NSD2
SCHEMBL11908005 0.73 CCR1 (0.56) HSP90AA1NPC1L3MBTL1LRRK2SLC40A1
SCHEMBL15703114 0.73 CCR1 (0.41) HSP90AA1NPC1L3MBTL1LRRK2SLC40A1

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
US-6423724-B1 PREVENTION, THERAPY DISEASE THE PROCTER & GAMBLE COMPANY 2002-07-23 — — US disclosed
CN-1085945-C 7-(2-imidazolinylamino) quinoline compounds as alpha-2 adrenoceptor agonists PROCTER & GAMBLE (US) 2002-06-05 — — CN disclosed
EP-0734261-B1 7-(2-IMIDAZOLINYLAMINO)QUINOLINE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS PROCTER & GAMBLE (US) 2001-06-27 — — EP 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
CN-1137754-A 7-(2-imidazolinylamino) quinoline compounds as alpha-2 adrenoceptor agonists PROCTER & GAMBLE (US) 1996-12-11 — — CN 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
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