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Sugi Predict / Compounds / SCHEMBL989648

SCHEMBL989648

SCHEMBL989648

Cc1cccc(C)c1Nc1cccc2ccc(-c3cccc4ccccc34)nc12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 5/20 0.46
▸ ALDH1A1 P00352 4/20 0.43
▸ HPGD P15428 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ TP53 P04637 1/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CYP2A6 P11509 1/20 0.39
▸ KDR P35968 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ GLO1 Q04760 2/20 0.37
▸ AGTR1 P30556 1/20 0.36
▸ PAX8 Q06710 1/20 0.36
▸ SLC40A1 Q9NP59 1/20 0.36

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
SCHEMBL1006314 0.93 AR (0.42) ARALDH1A1HPGDKDM4EGAA
SCHEMBL1005996 0.83 ALDH1A1 (0.38) ARALDH1A1HPGDKDM4EGAA
SCHEMBL12949735 0.82 AR (0.63) ARALDH1A1HPGDKDM4EMAPT
SCHEMBL936383 0.80 GABRA1 (0.42) ARMAPTKDRGLO1
SCHEMBL30414026 0.77 ALDH1A1 (0.50) ARALDH1A1HPGDKDM4EMAPT
SCHEMBL14900756 0.77 ALDH1A1 (0.50) ARALDH1A1HPGDKDM4EMAPT
SCHEMBL10032267 0.77 ALDH1A1 (0.50) ARALDH1A1HPGDKDM4EMAPT
SCHEMBL10032295 0.76 ALDH1A1 (0.49) ARALDH1A1HPGDKDM4EMAPT
SCHEMBL339359 0.74 SMN1; SMN2 (0.48) ALDH1A1HPGDKDM4EGAAMAPT
SCHEMBL14884094 0.74 ALDH1A1 (0.47) ARALDH1A1HPGDKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2456794-A1 CATALYSTS BASED ON 2-ARYL-8-ANILINOQUINOLINE LIGANDS Equistar Chemicals, LP (US) 2012-05-30 — — EP disclosed
EP-2456795-A1 METHOD OF PREPARING NON-METALLOCENE CATALYSTS Equistar Chemicals, LP (US) 2012-05-30 — — EP 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
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-2011011039-A1 METHOD OF PREPARING NON-METALLOCENE CATALYSTS EQUISTAR CHEMICALS, LP (US) 2011-01-27 — — WO disclosed
WO-2011011041-A1 CATALYSTS BASED ON 2-ARYL-8-ANILINOQUINOLINE LIGANDS EQUISTAR CHEMICALS, LP (US) 2011-01-27 — — WO 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