SCHEMBL13232706

SCHEMBL13232706

CC(C)CC(C)(C)c1ccc2c(c1)c1ccccc1n2C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.51
▸ GPR3 P46089 1/20 0.47
▸ KDM4E B2RXH2 6/20 0.45
▸ MAPT P10636 5/20 0.45
▸ ALDH1A1 P00352 5/20 0.45
▸ HPGD P15428 5/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ NPY5R Q15761 2/20 0.43
▸ PGR P06401 2/20 0.40
▸ NR1H3 Q13133 1/20 0.40
▸ RORA P35398 1/20 0.39
▸ RORC P51449 1/20 0.39
▸ RORB Q92753 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ PABPC1 P11940 1/20 0.38
▸ POLB P06746 1/20 0.37

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
SCHEMBL9968158 0.83 GPR3 (0.52) KIF11GPR3KDM4EMAPTALDH1A1
SCHEMBL2604375 0.81 GPR3 (0.61) KIF11GPR3KDM4EMAPTALDH1A1
SCHEMBL13232708 0.78 GPR3 (0.53) KIF11GPR3KDM4EMAPTALDH1A1
SCHEMBL21454579 0.78 KIF11 (0.81) KIF11GPR3KDM4EMAPTALDH1A1
SCHEMBL18372416 0.73 KIF11 (0.72) KIF11GPR3KDM4EMAPTALDH1A1
SCHEMBL14864256 0.72 MAPT (0.37) KIF11KDM4EMAPTALDH1A1HPGD
SCHEMBL9968163 0.72 GPR3 (0.53) KIF11GPR3KDM4EMAPTALDH1A1
Benzene SCHEMBL28231296 0.71 HTR1D (0.47) KIF11GPR3KDM4EMAPTALDH1A1
SCHEMBL2604384 0.71 HTR1D (0.50) KIF11GPR3KDM4EMAPTALDH1A1
SCHEMBL14649228 0.71 KIF11 (0.48) KIF11GPR3KDM4EMAPTALDH1A1

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-8420234-B2 Organic electroluminescent device UDC IRELAND LIMITED (IE) 2013-04-16 — — US disclosed
US-8420234-B2 Organic electroluminescent device UDC IRELAND LIMITED (IE) 2013-04-16 — — US disclosed
US-20100171418-A1 ORGANIC ELECTROLUMINESCENT DEVICE FUJIFILM CORPORATION (JP) 2010-07-08 — — US disclosed
US-20100171418-A1 ORGANIC ELECTROLUMINESCENT DEVICE FUJIFILM CORPORATION (JP) 2010-07-08 — — US disclosed
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