SCHEMBL6576573

SCHEMBL6576573

O=P(Oc1ccccn1)(Oc1ccccn1)Oc1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
LMNA P02545 3/20 0.44
CCR1 P32246 2/20 0.44
CCR5 P51681 2/20 0.44
CCR8 P51685 2/20 0.44
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
METAP1 P53582 1/20 0.44
BLM P54132 1/20 0.44
HIF1A Q16665 1/20 0.44
DOHH Q9BU89 1/20 0.44
P4HTM Q9NXG6 1/20 0.44
HSP90AA1 P07900 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 1/20 0.38
TP53 P04637 3/20 0.38
HTT P42858 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38

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
SCHEMBL29029333 0.90 MEN1 (0.44) KDM4ELMNACCR1CCR5CCR8
SCHEMBL28901681 0.85 SRC (0.38) KDM4ELMNACCR1CCR5CCR8
SCHEMBL10662460 0.83 LMNA (0.42) KDM4ELMNACCR1CCR5CCR8
SCHEMBL9806698 0.83 KDM4E (0.46) KDM4ELMNACCR1CCR5CCR8
SCHEMBL11632192 0.83 KDM4E (0.41) KDM4ELMNACCR1CCR5CCR8
SCHEMBL3514513 0.83 SRC (0.48) KDM4ELMNACCR1CCR5CCR8
SCHEMBL6710029 0.83 KDM4E (0.41) KDM4ELMNACCR1CCR5CCR8
Lithium Ion SCHEMBL28997264 0.81 KDM4E (0.39) KDM4ELMNACCR1CCR5CCR8
SCHEMBL28997266 0.81 SRC (0.47) KDM4ELMNACCR1CCR5CCR8
SCHEMBL28373956 0.80 TSHR (0.37) KDM4EHSP90AA1MEN1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116365023-B Lithium ion battery electrolyte and lithium ion battery using same 宁德国泰华荣新材料有限公司 2026-04-03 CN disclosed
CN-116730807-B Direct cross coupling method of aryl phosphate and aryl bromide 南京工业大学 2024-05-24 CN disclosed
CN-116730807-A Direct cross coupling method of aryl phosphate and aryl bromide 南京工业大学 2023-09-12 CN disclosed
CN-116365023-A Lithium ion battery electrolyte and lithium ion battery using same 宁德国泰华荣新材料有限公司 2023-06-30 CN disclosed
CN-116365023-A Lithium ion battery electrolyte and lithium ion battery using same 宁德国泰华荣新材料有限公司 2023-06-30 CN disclosed
WO-2019200874-A1 ENGINEERING BACTERIA AND USE THEREOF IN PRODUCTION OF DANSHENSU 江南大学 2019-10-24 WO disclosed
EP-0642507-B1 TRANSITION STATE ANALOGUES OF COCAINE, THEIR USE FOR PRODUCING CATALYTIC ANTIBODIES AGAINST COCAINE AND USE OF THE SAME IN DIAGNOSIS AND THERAPY UNIV COLUMBIA (US) 2004-02-04 EP disclosed
US-6566084-B1 Detecting hydrolysis of cocaine compound; obtain cocaine mixture, incubate with antibody, monitor generation of benzoic zacid THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2003-05-20 US disclosed
US-6184013-B1 ANTIBODY FOR REDUCING CONCENTRATION OF DRUG IN PATIENT THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2001-02-06 US disclosed
US-5990285-A ANTIBODY CAPABLE OF BINDING A TRANSITION STATE ANALOG FOR THE HYDROLYSIS OF COCAINE BENZOYL ESTER GROUP; TREATMENT OF DRUG ABUSE, DRUG DEPENDENCE, OVERDOSES THE TRUSTEES OF COLUMBIA UNIVERSITY (US) 1999-11-23 US disclosed
US-5977314-A ANTIBODY CAPABLE OF CATALYZING THE HYDROLYSIS OF COCAINE AT BENZOYL ESTER GROUP AND AGAINST SPECIFIC STRUCTURAL COMPOUNDS LISTED; FOR DECREASING CONCENTRATION OF COCAINE IN A SUBJECT THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1999-11-02 US disclosed
EP-0642507-A4 CATALYTIC ANTIBODIES AGAINST COCAINE AND METHODS OF USING AND PRODUCING SAME. 1995-03-29 EP disclosed
EP-0642507-A1 CATALYTIC ANTIBODIES AGAINST COCAINE AND METHODS OF USING AND PRODUCING SAME The Trustees of Columbia University in the City of New York (US) 1995-03-15 EP disclosed
WO-1993020076-A1 CATALYTIC ANTIBODIES AGAINST COCAINE AND METHODS OF USING AND PRODUCING SAME THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1993-10-14 WO disclosed