SCHEMBL15469413

SCHEMBL15469413

N=C(NN)c1ccc(C(c2ccc(C(=N)NN)cc2)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
ALDH1A1 P00352 3/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
MPO P05164 1/20 0.31
CYP3A4 P08684 1/20 0.31
KDM5A P29375 1/20 0.31
BLM P54132 1/20 0.31
GFER P55789 1/20 0.31
PMP22 Q01453 1/20 0.31
HIF1A Q16665 1/20 0.31
PTGS1 P23219 2/20 0.31
OGG1 O15527 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
RORC P51449 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
SCHEMBL4399783 0.84 CES2 (0.48) ALDH1A1CES2CES1PTGS1IDO1
Hydrochloric Acid SCHEMBL4394743 0.82 CES2 (0.47) ALDH1A1CES2CES1PTGS1IDO1
SCHEMBL8928282 0.78 MPO (0.55) ESR1ESR2ALDH1A1CES2CES1
SCHEMBL2849627 0.78 MPO (0.39) ALDH1A1MPOCYP3A4KDM5ABLM
SCHEMBL12248115 0.78 ESR1 (0.52) ESR1ESR2ALDH1A1BLMLMNA
SCHEMBL24684593 0.74 ESR1 (0.52) ESR1ESR2CES2CES1
SCHEMBL2949849 0.73 MAOA (0.45) ALDH1A1CES2CES1IDO1
SCHEMBL13108737 0.72 WDR5 (0.44) ALDH1A1MPOCYP3A4KDM5ABLM
SCHEMBL23690300 0.72 MAPT (0.51) KDM4EMAPTL3MBTL1
Hydrochloric Acid SCHEMBL3558306 0.71 MAOA (0.47) CES2CES1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11312850-B2 Gasket material NOK CORPORATION (JP) 2022-04-26 US disclosed
US-20200362153-A1 GASKET MATERIAL NOK CORPORATION (JP) 2020-11-19 US disclosed
US-20140044975-A1 RUBBER METAL LAMINATE UNIMATEC CO., LTD (JP) 2014-02-13 US disclosed
US-20140044975-A1 RUBBER METAL LAMINATE UNIMATEC CO., LTD (JP) 2014-02-13 US disclosed