SCHEMBL2057149

SCHEMBL2057149

COC(=O)Cc1ccc(OCCOc2ccccc2N)c(N)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.57
▸ GAA P10253 2/20 0.57
▸ GFER P55789 1/20 0.57
▸ HPGD P15428 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ CYP1A2 P05177 2/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ SLC7A5 Q01650 1/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ JAK3 P52333 1/20 0.42
▸ CYP3A4 P08684 1/20 0.41
▸ CYP4F2 P78329 1/20 0.41
▸ CYP4A11 Q02928 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ PDK2 Q15119 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ NFKB1 P19838 1/20 0.41

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
SCHEMBL15259182 0.87 CYP1A2 (0.47) ALDH1A1GAAGFERMAPTCYP1A2
SCHEMBL2057042 0.85 ALDH1A1 (0.56) ALDH1A1GAAGFERMAPTCYP2C19
SCHEMBL1695101 0.85 GABRP (0.46) ALDH1A1GAAHPGDTSHRCYP1A2
Potassium Ion SCHEMBL8593324 0.83 APP (0.44) ALDH1A1GAAGFERTSHRMAPT
SCHEMBL15259184 0.81 CRHBP (0.41) ALDH1A1GAAGFERTSHRCYP1A2
SCHEMBL7247237 0.81 ALDH1A1 (0.69) ALDH1A1GAAGFERTSHRMAPT
Hydrochloric Acid SCHEMBL6983661 0.80 ALDH1A1 (0.67) ALDH1A1GAAGFERMAPTCYP1A2
SCHEMBL15257595 0.78 CYP1A2 (0.59) ALDH1A1GAAMAPTCYP1A2CYP2C19
SCHEMBL14798911 0.77 GAA (0.56) ALDH1A1GAAGFERHPGDTSHR
Hydrochloric Acid SCHEMBL25376378 0.77 CYP1A2 (0.53) ALDH1A1HPGDTSHRMAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110021372-A1 Compositions and methods for detection and isolation of phosphorylated molecules Life Technologies Corporation (US) 2011-01-27 — — US disclosed
US-7776533-B2 Compositions and methods for detection and isolation of phosphorylated molecules Life Technologies Corporation (US) 2010-08-17 — — US disclosed
US-20100009381-A1 Compositions and methods for detection and isolation of phosphorylated molecules Life Technologies Corporation (US) 2010-01-14 — — US disclosed
US-7445894-B2 Compositions and methods for detection and isolation of phosphorylated molecules MOLECULAR PROBES, INC. (US) 2008-11-04 — — US disclosed
US-20080044804-A1 COMPOSITIONS AND METHODS FOR DETECTION AND ISOLATION OF PHOSPHORYLATED MOLECULES INVITROGEN CORPORATION (US) 2008-02-21 — — US disclosed
US-20070054304-A1 COMPOSITIONS AND METHODS FOR DETECTION AND ISOLATION OF PHOSPHORYLATED MOLECULES INVITROGEN CORPORATION (US) 2007-03-08 — — US disclosed
US-7102005-B2 Compositions and methods for detection and isolation of phosphorylated molecules MOLECULAR PROBES, INC. (US) 2006-09-05 — — US disclosed
EP-1546118-A2 COMPOSITIONS AND METHODS FOR DETECTION AND ISOLATION OF PHOSPHORYLATED MOLECULES Molecular Probes Inc. (US) 2005-06-29 — — EP disclosed
WO-2005047901-A2 COMPOSITIONS AND METHODS FOR DETECTION AND ISOLATION PHOSPHORYLATED MOLECULES MOLECULAR PROBES, INC. (US) 2005-05-26 — — WO disclosed
US-20050014197-A1 Compositions and methods for detection and isolation of phosphorylated molecules MOLECULAR PROBES, INC. 2005-01-20 — — US disclosed
US-20040171034-A1 Compositions and methods for detection and isolation of phosphorylated molecules MOLECULAR PROBES, INC. 2004-09-02 — — US disclosed
WO-2004042347-A2 COMPOSITIONS AND METHODS FOR DETECTION AND ISOLATION OF PHOSPHORYLATED MOLECULES MOLECULAR PROBES, INC. (US) 2004-05-21 — — WO disclosed
US-20040038306-A1 Compositions and methods for detection and isolation of phosphorylated molecules MOLECULAR PROBES, INC. 2004-02-26 — — US disclosed
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