SCHEMBL12031835

SCHEMBL12031835

c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc3cc(-c4ccc(-c5ccc(-c6ccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)c7ccccc67)c6ccccc56)c5ccccc45)ccc3c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.34
AKR1C3 P42330 3/20 0.34
AKR1C2 P52895 3/20 0.34
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
CYP2B6 P20813 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDO2 P48775 2/20 0.33
GPR84 Q9NQS5 1/20 0.33
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL13766235 0.98 GSTP1 (0.35) GSTP1AKR1C3AKR1C2CYP1A2CYP3A4
SCHEMBL12031844 0.97 PIM1 (0.34) GSTP1AKR1C3AKR1C2CYP1A2CYP3A4
SCHEMBL12031834 0.92 GSTP1 (0.39) GSTP1AKR1C3AKR1C2CYP1A2CYP3A4
SCHEMBL12031843 0.89 PIM1 (0.37) GSTP1AKR1C3AKR1C2CYP1A2CYP3A4
SCHEMBL13766213 0.84 ENPP3 (0.32)
SCHEMBL13162130 0.79 HDAC4 (0.39) GSTP1AKR1C3AKR1C2CYP1A2CYP3A4
SCHEMBL13162120 0.79 HDAC4 (0.37) GSTP1AKR1C3AKR1C2CYP1A2CYP3A4
SCHEMBL16917820 0.79 KDM4E (0.30) KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL12031840 0.79 KDM4E (0.30) KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL13766220 0.78 PDK2 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8436343-B2 Organic EL device IDEMITSU KOSAN CO., LTD. (JP) 2013-05-07 US disclosed
US-8436343-B2 Organic EL device IDEMITSU KOSAN CO., LTD. (JP) 2013-05-07 US disclosed
US-8294142-B2 Organic EL device IDEMITSU KOSAN CO., LTD. (JP) 2012-10-23 US disclosed
US-20110309337-A1 ORGANIC EL DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2011-12-22 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-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-7666524-B2 Oligonaphthalene derivatives, and light-emitting element and light-emitting device using oligonaphthalene derivatives SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2010-02-23 US disclosed