SCHEMBL7722871

SCHEMBL7722871

N#COc1cc(Cl)c(-c2cc(Cl)c(OC#N)cc2Cl)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.42
▸ AHR P35869 1/20 0.42
▸ NR1I2 O75469 1/20 0.31
▸ ADRA2A P08913 1/20 0.31
▸ ADORA3 P0DMS8 1/20 0.31
▸ ADRA2B P18089 1/20 0.31
▸ ADRA2C P18825 1/20 0.31
▸ TACR2 P21452 1/20 0.31
▸ DRD1 P21728 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ ADORA1 P30542 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ OPRM1 P35372 1/20 0.31
▸ DRD3 P35462 1/20 0.31
▸ OPRK1 P41145 1/20 0.31
▸ HTR6 P50406 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31

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
SCHEMBL3999176 0.72 GAA (0.48) MAPK1
SCHEMBL20945439 0.72 GAA (0.48) MAPK1
SCHEMBL24393513 0.71 AHR (0.42) MAPK1AHR
SCHEMBL9351955 0.71 SLC6A3 (0.47) NR1I2ADORA3SLC6A2SLC6A4SLC6A3
SCHEMBL30515471 0.70 AR (0.33) HTR2ASLC6A4KCNH2
SCHEMBL10629544 0.70 AR (0.36) SLC6A2HTR2ASLC6A4SLC6A3KCNH2
SCHEMBL1740792 0.70 AR (0.33) HTR2ASLC6A4KCNH2
SCHEMBL21439789 0.68 ACHE (0.43) MAPK1
SCHEMBL30343455 0.67 CYP3A4 (0.44) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL829807 0.67 CYP3A4 (0.44) SLC6A2SLC6A4SLC6A3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6337375-B1 RESIN WITH COLOR AND FLUORESCING AGENT INTERNATIONAL BUSINESS MACHINES CORPORATION 2002-01-08 — — US disclosed
US-6190759-B1 ELECTRONIC PACKAGE COMPRISING DIELECTRIC LAYER AND CONDUCTIVE LAYER, SAID DIELECTRIC LAYER INCLUDING REINFORCING MATERIAL, RESIN MATERIAL SELECTED FROM EPOXY, CYANATE AND BISMALEIMIDE RESINS, COLORING AGENT, AND FLUORESCING AGENT INTERNATIONAL BUSINESS MACHINES CORPORATION 2001-02-20 — — US disclosed
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