SCHEMBL9483552

SCHEMBL9483552

Fc1nc(F)nc(NCCc2ccccc2)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.60
CA1 P00915 2/20 0.60
CA2 P00918 2/20 0.60
CA3 P07451 2/20 0.60
CA4 P22748 2/20 0.60
CA6 P23280 2/20 0.60
CA7 P43166 2/20 0.60
CA9 Q16790 2/20 0.60
CA14 Q9ULX7 2/20 0.60
CA13 Q8N1Q1 1/20 0.60
APP P05067 3/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
KCNH3 Q9ULD8 2/20 0.51
ADORA3 P0DMS8 2/20 0.50
ADORA2A P29274 2/20 0.50
ADORA2B P29275 2/20 0.50
ADORA1 P30542 2/20 0.50
BCHE P06276 2/20 0.50
ACHE P22303 2/20 0.50
CA5A P35218 1/20 0.50

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
SCHEMBL22151175 0.86 APP (0.64) APPL3MBTL1KCNH3ADORA3ADORA2A
SCHEMBL9484727 0.82 LMNA (0.61) APPL3MBTL1KCNH3KDM4EALDH1A1
SCHEMBL7716388 0.82 APP (0.49) CA12CA1CA2CA3CA4
SCHEMBL14869419 0.78 APP (0.65) CA1CA2CA9APPL3MBTL1
SCHEMBL6672730 0.78 CA12 (0.60) CA12CA1CA2CA4CA6
SCHEMBL2451092 0.78 APP (0.64) CA1CA2CA9APPKCNH3
SCHEMBL7024590 0.76 APP (0.54) APPL3MBTL1KCNH3ADORA3ADORA2A
SCHEMBL8990589 0.76 APP (0.71) APPL3MBTL1KCNH3ADORA3ADORA2A
SCHEMBL17186572 0.76 APP (0.54) APPL3MBTL1KCNH3ADORA2AADORA2B
Hydrochloric Acid SCHEMBL5471522 0.75 APP (0.69) APPL3MBTL1KCNH3ADORA3ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5241057-A Blue shades BAYER AKTIENGESELLSHAFT (DE) 1993-08-31 US disclosed
EP-0321784-B1 FORMAZANE DYES CONTAINING HEAVY METALS, PROCESS FOR THEIR PREPARATION AND THEIR USE IN DYEING AND PRINTING FIBROUS MATERIALS BAYER AG (DE) 1992-03-18 EP disclosed
EP-0255890-B1 PROCESS FOR THE REACTION OF AMINES WITH HETEROCYCLIC REACTIVE COMPOUNDS BAYER AG (DE) 1990-08-29 EP disclosed
EP-0321784-A2 Formazane dyes containing heavy metals, process for their preparation and their use in dyeing and printing fibrous materials BAYER AG (DE) 1989-06-28 EP disclosed
EP-0255890-A1 Process for the reaction of amines with heterocyclic reactive compounds BAYER AG (DE) 1988-02-17 EP disclosed
EP-0144704-B1 REACTIVE DYES BAYER AG (DE) 1987-12-16 EP disclosed
US-4659806-A WASH-AND COLORFASTNESS BAYER AKTIENGESELLSCHAFT (DE) 1987-04-21 US disclosed
EP-0177978-A2 Naphthol amine derivatives BAYER AG (DE) 1986-04-16 EP disclosed
EP-0151792-A2 Reaction of amines with heterocyclic reactive compounds BAYER AG (DE) 1985-08-21 EP disclosed
EP-0144704-A2 Reactive dyes BAYER AG (DE) 1985-06-19 EP disclosed
EP-0097289-A2 Azo dyestuffs BAYER AG (DE) 1984-01-04 EP disclosed
US-4332938-A Anthaquinone reactive dyestuffs, their preparation and their use for dyeing materials containing OH groups or amide groups BAYER AKTIENGESELLSCHAFT (DE) 1982-06-01 US disclosed
EP-0043411-A2 Reactive disazo dyestuffs, process for their preparation and their use in dyeing and printing materials containing nitrogen and/or hydroxyle groups BAYER AG (DE) 1982-01-13 EP disclosed
EP-0012341-A1 Anthraquinone reactive dyestuffs and their use in dyeing materials that contain hydroxyl or amide groups BAYER AG (DE) 1980-06-25 EP disclosed