SCHEMBL7742986

SCHEMBL7742986

Cc1c(N=C=S)cc(C#N)c2cccnc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 1/20 0.41
▸ HSP90AA1 P07900 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ LRRK2 Q5S007 1/20 0.36
▸ SLC40A1 Q9NP59 1/20 0.36
▸ CCR1 P32246 1/20 0.35
▸ CCR8 P51685 1/20 0.35
▸ ELANE P08246 4/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ MAPT P10636 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ TDP1 Q9NUW8 3/20 0.34
▸ AGTR1 P30556 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ HKDC1 Q2TB90 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33

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
SCHEMBL7737452 0.81 APLNR (0.43) APLNRHSP90AA1L3MBTL1NPC1SLC40A1
SCHEMBL12456472 0.77 APLNR (0.42) APLNRHSP90AA1L3MBTL1NPC1LRRK2
SCHEMBL8117319 0.77 L3MBTL1 (0.49) APLNRHSP90AA1L3MBTL1NPC1SLC40A1
SCHEMBL27002527 0.76 L3MBTL1 (0.46) HSP90AA1L3MBTL1NPC1LRRK2SLC40A1
SCHEMBL7743445 0.76 HSP90AA1 (0.46) HSP90AA1L3MBTL1NPC1LRRK2SLC40A1
SCHEMBL8112804 0.73 DRD1 (0.33) APLNRLRRK2DRD1
SCHEMBL8584090 0.71 APLNR (0.31) APLNR
SCHEMBL6582228 0.71 — —
SCHEMBL14257751 0.71 APLNR (0.47) APLNRHSP90AA1L3MBTL1NPC1CCR1
SCHEMBL7743453 0.71 APLNR (0.47) APLNRHSP90AA1L3MBTL1NPC1CCR1

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 7 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
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
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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