SCHEMBL4201172

SCHEMBL4201172

C=Cc1nccc(Cl)c1C

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDXK O00764 1/20 0.33
ALDH1A1 P00352 2/20 0.32
AXL P30530 1/20 0.31
PRKCI P41743 1/20 0.31
NOS3 P29474 1/20 0.31
NOS2 P35228 1/20 0.31
BTK Q06187 1/20 0.30
IDO1 P14902 1/20 0.30

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
SCHEMBL22333151 0.81 DAO (0.32) ALDH1A1AXLPRKCINOS3NOS2
SCHEMBL9160147 0.77 NOS2 (0.48) PDXKNOS3NOS2BTK
SCHEMBL4624037 0.77 CCR1 (0.35) NOS3NOS2
SCHEMBL30296511 0.77 CCR1 (0.35) NOS3NOS2
SCHEMBL14887725 0.76 NFE2L2 (0.33) ALDH1A1
SCHEMBL28309533 0.76 POLB (0.40) ALDH1A1BTKIDO1
SCHEMBL26345976 0.76 PDXK (0.34) PDXKNOS3NOS2BTK
SCHEMBL1522103 0.76 PDXK (0.35) PDXKALDH1A1AXLPRKCI
SCHEMBL21737277 0.74 BTK (0.38) PDXKNOS3NOS2BTK
SCHEMBL16542123 0.72 NOTUM (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090191383-A1 METHOD FOR COLORING TEXTILE SUBSTRATES, AQUEOUS PRETREATMENT BATHS, AND USE THEREOF FOR THE PRETREATMENT OF TEXTILE SUBSTRATES BASF AKTIENGESELLSCHAFT (DE) 2009-07-30 US disclosed
WO-2008052962-A1 METHOD FOR COLORING SUBSTRATES FROM POLYPROPYLENE BASF SE (DE) 2008-05-08 WO disclosed
US-20060010619-A1 Pre-treatment liquor for preparing textile substrates for inkjet printing BASF AKTIENGESELLSCHAFT (DE) 2006-01-19 US disclosed