SCHEMBL15024906

SCHEMBL15024906

CCCCn1c2ccccc2c2c3ccccc3n(C)c21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.57
RORA P35398 3/20 0.57
RORC P51449 3/20 0.57
RORB Q92753 3/20 0.57
ALDH1A1 P00352 6/20 0.51
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 3/20 0.48
HPGD P15428 2/20 0.48
LMNA P02545 1/20 0.48
ALPL P05186 2/20 0.47
ALPG P10696 1/20 0.47
ATM Q13315 2/20 0.46
UTS2R Q9UKP6 1/20 0.46
NPC1 O15118 1/20 0.46
PABPC1 P11940 1/20 0.46
PKM P14618 1/20 0.46
RAB9A P51151 1/20 0.46
GPR3 P46089 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL15025054 0.93 KDM4E (0.50) PGRRORARORCRORBALDH1A1
SCHEMBL15025029 0.93 KDM4E (0.50) PGRRORARORCRORBALDH1A1
SCHEMBL1335135 0.81 PGR (0.73) PGRRORARORCRORBALDH1A1
SCHEMBL29531665 0.81 PGR (0.73) PGRRORARORCRORBALDH1A1
SCHEMBL15113975 0.80 PGR (0.50) PGRRORARORCRORBALDH1A1
SCHEMBL15025028 0.79 KDM4E (0.50) ALDH1A1KDM4E
SCHEMBL15025138 0.79 KDM4E (0.50) ALDH1A1KDM4E
SCHEMBL15024745 0.79 GPR3 (0.64) ALDH1A1L3MBTL1KDM4EHPGDUTS2R
SCHEMBL15128344 0.77 NPC1 (0.43) PGRRORARORCRORBALDH1A1
SCHEMBL4946088 0.77 CNR2 (0.57) PGRRORARORCRORBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2617724-B1 ORGANIC ELECTROLUMINESCENT DEVICE NIPPON STEEL & SUMIKIN CHEM CO (JP) 2017-07-05 EP disclosed
US-8766248-B2 Nitrogen-containing aromatic compound, organic semiconductor material, and organic electronic device NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2014-07-01 US disclosed
US-8766248-B2 Nitrogen-containing aromatic compound, organic semiconductor material, and organic electronic device NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2014-07-01 US disclosed
US-20130150576-A1 NITROGEN-CONTAINING AROMATIC COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL, AND ORGANIC ELECTRONIC DEVICE NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2013-06-13 US disclosed
US-20130150576-A1 NITROGEN-CONTAINING AROMATIC COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL, AND ORGANIC ELECTRONIC DEVICE NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2013-06-13 US disclosed