SCHEMBL13558237

SCHEMBL13558237

CC(Cc1ccc(C#N)cc1)c1ccc(C#N)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.57
ESR2 Q92731 4/20 0.57
CYP2A6 P11509 2/20 0.52
LOXL2 Q9Y4K0 2/20 0.48
GRIA1 P42261 1/20 0.46
GRIA2 P42262 1/20 0.46
GRIA3 P42263 1/20 0.46
GRIA4 P48058 1/20 0.46
ALOX5AP P20292 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CYP19A1 P11511 5/20 0.41
MAOB P27338 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL29244942 1.00 ESR1 (0.57) ESR1ESR2CYP2A6LOXL2GRIA1
SCHEMBL29065584 0.91 ESR1 (0.47) ESR1ESR2CYP2A6LOXL2ALOX5AP
SCHEMBL28848265 0.91 MAOB (0.47) ESR1ESR2CYP2A6GRIA1GRIA2
SCHEMBL14219425 0.86 GRIA1 (0.47) ESR1ESR2CYP2A6LOXL2GRIA1
SCHEMBL29033902 0.85 CYP19A1 (0.45) ESR1ESR2CYP2A6LOXL2GRIA1
SCHEMBL23059553 0.83 ESR1 (0.43) ESR1ESR2CYP2A6LOXL2GRIA1
SCHEMBL14219553 0.82 TSHR (0.48) ESR1ESR2CYP2A6GRIA1GRIA2
SCHEMBL14219376 0.82 TSHR (0.48) ESR1ESR2CYP2A6GRIA1GRIA2
SCHEMBL14219900 0.82 TSHR (0.48) ESR1ESR2CYP2A6GRIA1GRIA2
SCHEMBL3172156 0.82 HTR2A (0.51) ESR1ESR2CYP2A6ALOX5APMEN1

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
CN-112236464-B Resin composition, prepreg, metal foil-clad laminate, resin sheet, and printed wiring board 三菱瓦斯化学株式会社 2024-02-23 CN disclosed
US-8298946-B2 Method of selective coating of a composite surface production of microelectronic interconnections using said method and integrated circuits ALCHIMER (FR) 2012-10-30 US disclosed
US-20090095507-A1 METHOD OF SELECTIVE COATING OF A COMPOSITE SURFACE PRODUCTION OF MICROELECTRONIC INTERCONNECTIONS USING SAID METHOD AND INTEGRATED CIRCUITS ALCHIMER (FR) 2009-04-16 US disclosed