SCHEMBL1006314

SCHEMBL1006314

Cc1ccc2ccccc2c1Nc1cccc2ccc(-c3cccc4ccccc34)nc12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
CYP1A2 P05177 3/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
GLO1 Q04760 2/20 0.36
AGTR1 P30556 1/20 0.36
PAX8 Q06710 1/20 0.36
SLC40A1 Q9NP59 1/20 0.36
CYP2A6 P11509 1/20 0.36
TSHR P16473 1/20 0.36
CCR4 P51679 1/20 0.35
TP53 P04637 1/20 0.35
KDR P35968 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL989648 0.93 AR (0.46) ARALDH1A1KDM4EHPGDGAA
SCHEMBL1005996 0.82 ALDH1A1 (0.38) ARALDH1A1KDM4EHPGDGAA
SCHEMBL12949735 0.78 AR (0.63) ARALDH1A1KDM4EHPGDMAPT
SCHEMBL1923154 0.78 TSHR (0.52) ALDH1A1KDM4EHPGDGAAMAPT
SCHEMBL14900756 0.76 ALDH1A1 (0.50) ARALDH1A1KDM4EHPGDMAPT
SCHEMBL10032267 0.76 ALDH1A1 (0.50) ARALDH1A1KDM4EHPGDMAPT
SCHEMBL30414026 0.76 ALDH1A1 (0.50) ARALDH1A1KDM4EHPGDMAPT
SCHEMBL10032295 0.75 ALDH1A1 (0.49) ARALDH1A1KDM4EHPGDMAPT
SCHEMBL936383 0.74 GABRA1 (0.42) ARMAPTGLO1KDR
SCHEMBL10032369 0.74 AR (0.49) ARALDH1A1KDM4EHPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153544-B2 Method for preparing non-metallocene catalysts EQUISTAR CHEMICALS, LP (US) 2012-04-10 US disclosed
US-8153544-B2 Method for preparing non-metallocene catalysts EQUISTAR CHEMICALS, LP (US) 2012-04-10 US disclosed
US-8153544-B2 Method for preparing non-metallocene catalysts EQUISTAR CHEMICALS, LP (US) 2012-04-10 US disclosed
WO-2011011039-A1 METHOD OF PREPARING NON-METALLOCENE CATALYSTS EQUISTAR CHEMICALS, LP (US) 2011-01-27 WO disclosed
US-20110021344-A1 Method for preparing non-metallocene ligands EQUISTAR CHEMICALS, LP 2011-01-27 US disclosed
US-20110021344-A1 Method for preparing non-metallocene ligands EQUISTAR CHEMICALS, LP 2011-01-27 US disclosed
US-20110021344-A1 Method for preparing non-metallocene ligands EQUISTAR CHEMICALS, LP 2011-01-27 US disclosed
WO-2011011041-A1 CATALYSTS BASED ON 2-ARYL-8-ANILINOQUINOLINE LIGANDS EQUISTAR CHEMICALS, LP (US) 2011-01-27 WO disclosed
US-7858718-B1 Catalysts based on 2-aryl-8-anilinoquinoline ligands EQUISTAR CHEMICALS, LP (US) 2010-12-28 US disclosed
US-7858718-B1 Catalysts based on 2-aryl-8-anilinoquinoline ligands EQUISTAR CHEMICALS, LP (US) 2010-12-28 US disclosed
US-7858718-B1 Catalysts based on 2-aryl-8-anilinoquinoline ligands EQUISTAR CHEMICALS, LP (US) 2010-12-28 US disclosed