SCHEMBL9405583

SCHEMBL9405583

Nc1ccc(/C=C/c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.64
PTGS1 P23219 2/20 0.57
AHR P35869 1/20 0.57
NQO2 P16083 1/20 0.55
CYP19A1 P11511 4/20 0.54
MAOB P27338 2/20 0.54
MAOA P21397 1/20 0.54
CYP1A2 P05177 1/20 0.53
APP P05067 2/20 0.52
FBP1 P09467 1/20 0.50
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
HDAC3 O15379 1/20 0.48
ADAM17 P78536 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48

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
SCHEMBL3462555 1.00 KIF11 (0.64) KIF11PTGS1AHRNQO2CYP19A1
SCHEMBL13790273 0.88 AHR (0.68) PTGS1AHRNQO2CYP1A2FBP1
SCHEMBL13790263 0.88 AHR (0.68) PTGS1AHRNQO2CYP1A2FBP1
SCHEMBL22931544 0.88 AHR (0.68) PTGS1AHRNQO2CYP1A2FBP1
SCHEMBL29507308 0.85 AHR (0.65) PTGS1AHRNQO2CYP1A2FBP1
SCHEMBL21064470 0.85 CYP19A1 (0.57) KIF11PTGS1AHRNQO2CYP19A1
SCHEMBL27948267 0.85 KIF11 (0.84) KIF11PTGS1MAOB
SCHEMBL10302 0.85 KIF11 (0.84) KIF11PTGS1MAOB
SCHEMBL30438832 0.85 KIF11 (0.84) KIF11PTGS1MAOB
Hydrochloric Acid SCHEMBL4376065 0.83 KIF11 (0.80) KIF11PTGS1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6048999-A None JP disclosed
US-9082995-B2 Organic EL element and organic EL material-containing solution IDEMITSU KOSAN CO., LTD. (JP) 2015-07-14 US disclosed
US-9082995-B2 Organic EL element and organic EL material-containing solution IDEMITSU KOSAN CO., LTD. (JP) 2015-07-14 US disclosed
US-20130187143-A1 ORGANIC EL DEVICE AND ANTHRACENE DERIVATIVE NISHIMURA KAZUKI (JP) 2013-07-25 US disclosed
US-8436343-B2 Organic EL device IDEMITSU KOSAN CO., LTD. (JP) 2013-05-07 US disclosed
US-8426036-B2 Organic EL device and anthracene derivative IDEMITSU KOSAN CO., LTD. (JP) 2013-04-23 US disclosed
US-8426036-B2 Organic EL device and anthracene derivative IDEMITSU KOSAN CO., LTD. (JP) 2013-04-23 US disclosed
US-8294142-B2 Organic EL device IDEMITSU KOSAN CO., LTD. (JP) 2012-10-23 US disclosed
US-8207526-B2 Organic EL device IDEMITSU KOSAN CO., LTD. (JP) 2012-06-26 US disclosed
US-20100314644-A1 ORGANIC ELECTROLUMINESCENT DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2010-12-16 US disclosed
US-20100270539-A1 ORGANIC EL ELEMENT AND ORGANIC EL MATERIAL-CONTAINING SOLUTION IDEMITSU KOSAN CO., LTD. (JP) 2010-10-28 US disclosed
US-20100207110-A1 ORGANIC EL DEVICE IDEMITSU KOSAN CO. LTD (JP) 2010-08-19 US disclosed
US-20100187517-A1 ORGANIC EL DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2010-07-29 US disclosed
US-20100171109-A1 ORGANIC EL DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2010-07-08 US disclosed
US-20100044689-A1 ORGANIC EL DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2010-02-25 US disclosed
JP-H0648999-A STILBENE DERIVATIVE RICOH CO LTD 1994-02-22 JP disclosed