SCHEMBL2521054

SCHEMBL2521054

[CH]1c2c(c3ccccc3c3ccccc23)-c2c1c1ccccc1c1ccccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPRT1 P00492 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.33
▸ CYP1A2 P05177 4/20 0.33
▸ HSD17B10 Q99714 3/20 0.33
▸ CYP2A6 P11509 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ GPR84 Q9NQS5 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ IDO1 P14902 1/20 0.32
▸ GPR3 P46089 3/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ USP2 O75604 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ ALOX12 P18054 1/20 0.30
▸ MAPK1 P28482 1/20 0.30

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
SCHEMBL142642 0.75 KDM4E (0.35) ALDH1A1HSD17B10HPGDTHRBIDO1
Triphenylene SCHEMBL29698924 0.71 HPRT1 (0.57) HPRT1ALDH1A1CYP1A2HSD17B10CYP2A6
SCHEMBL31467394 0.71 HPRT1 (0.57) HPRT1ALDH1A1CYP1A2HSD17B10CYP2A6
Triphenylene SCHEMBL29363356 0.71 HPRT1 (0.57) HPRT1ALDH1A1CYP1A2HSD17B10CYP2A6
SCHEMBL1006251 0.71 HPRT1 (0.57) HPRT1ALDH1A1CYP1A2HSD17B10CYP2A6
SCHEMBL30977781 0.71 HPRT1 (0.57) HPRT1ALDH1A1CYP1A2HSD17B10CYP2A6
Triphenylene SCHEMBL311118 0.71 HPRT1 (0.57) HPRT1ALDH1A1CYP1A2HSD17B10CYP2A6
Triphenylene SCHEMBL25597 0.71 HPRT1 (0.57) HPRT1ALDH1A1CYP1A2HSD17B10CYP2A6
SCHEMBL14244664 0.71 HPRT1 (0.57) HPRT1ALDH1A1CYP1A2HSD17B10CYP2A6
SCHEMBL1004315 0.71 HPRT1 (0.57) HPRT1ALDH1A1CYP1A2HSD17B10CYP2A6

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
WO-2011127339-A1 GROUP 4 TRANSITION METAL COMPLEX WITH A MONOANIONIC LIGAND AND OLEFIN POLYMERIZATION CATALYST COMPRISING THE SAME EQUISTAR CHEMICALS, LP (US) 2011-10-13 — — WO disclosed
US-20110251362-A1 Olefin polymerization catalysts EQUISTAR CHEMICALS, LP 2011-10-13 — — US disclosed
EP-0565607-B1 PROTECTION GROUP, COMPOUD PROTECTED BY THIS GROUP AND DEVICE FOR GRAFTING THE PROTECTION GROUP ONTO THE COMPOUND BEING PROTECTED RHODIA CHIMIE SA (FR) 1999-04-21 — — EP disclosed
EP-0565607-A1 PROTECTION GROUP, COMPOUD PROTECTED BY THIS GROUP AND DEVICE FOR GRAFTING THE PROTECTION GROUP ONTO THE COMPOUND BEING PROTECTED RHONE-POULENC CHIMIE (FR) 1993-10-20 — — EP disclosed
WO-1992012167-A1 PROTECTION GROUP, COMPOUD PROTECTED BY THIS GROUP AND DEVICE FOR GRAFTING THE PROTECTION GROUP ONTO THE COMPOUND BEING PROTECTED RHONE-POULENC CHIMIE (FR) 1992-07-23 — — WO disclosed
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