SCHEMBL6425980

SCHEMBL6425980

CC(=O)C(Br)ONCCc1c[nH]c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.61
▸ KMT2A Q03164 5/20 0.61
▸ TSHR P16473 2/20 0.61
▸ LMNA P02545 1/20 0.61
▸ CYP1A2 P05177 1/20 0.61
▸ PKM P14618 1/20 0.61
▸ CYP2C19 P33261 1/20 0.61
▸ BLM P54132 1/20 0.61
▸ AANAT Q16613 1/20 0.55
▸ ALDH1A1 P00352 3/20 0.53
▸ HTR2A P28223 2/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ HTR1A P08908 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ NPC1 O15118 2/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ MMP9 P14780 1/20 0.52
▸ FAAH O00519 1/20 0.52
▸ MTNR1A P48039 1/20 0.51
▸ SIRT1 Q96EB6 1/20 0.51

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
SCHEMBL6425177 0.85 MEN1 (0.61) MEN1KMT2ATSHRLMNACYP1A2
SCHEMBL6424923 0.85 MEN1 (0.61) MEN1KMT2ATSHRLMNACYP1A2
SCHEMBL9559245 0.81 MEN1 (0.68) MEN1KMT2ATSHRLMNACYP1A2
SCHEMBL9705533 0.79 MEN1 (0.65) MEN1KMT2ATSHRLMNACYP1A2
Nb-Acetyltryptamine SCHEMBL468850 0.76 MEN1 (1.00) MEN1KMT2ATSHRLMNACYP1A2
Methyl Carbamate SCHEMBL6828080 0.76 MEN1 (0.61) MEN1KMT2ATSHRLMNACYP1A2
SCHEMBL28242499 0.76 HTR2A (0.64) MEN1KMT2ATSHRLMNACYP1A2
SCHEMBL678380 0.76 HTR2A (0.69) MEN1KMT2ATSHRLMNACYP1A2
SCHEMBL28875080 0.76 MEN1 (0.60) MEN1KMT2ATSHRLMNACYP1A2
Nb-Acetyltryptamine SCHEMBL29669230 0.75 MEN1 (0.97) MEN1KMT2ATSHRLMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1212056-B1 METHODS AND COMPOSITIONS FOR BISUBSTRATE INHIBITORS OF ACETYLTRANSFERASES US GOV HEALTH & HUMAN SERV (US) 2005-12-07 — — EP claimed
EP-1212056-A1 METHODS AND COMPOSITIONS FOR BISUBSTRATE INHIBITORS OF ACETYLTRANSFERASES The Government of the United States of America, as represented by the Secretary, Department of Health and Human Services (US) 2002-06-12 — — EP claimed
US-20020002144-A1 Methods and compositions for bisubstrate inhibitors of acetyltransferases THE GOVERNMENT OF THE UNITED STATES OF AMERICA, DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 2002-01-03 — — US claimed
WO-2001012185-A1 METHODS AND COMPOSITIONS FOR BISUBSTRATE INHIBITORS OF ACETYLTRANSFERASES THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2001-02-22 — — WO claimed
EP-1212056-B1 METHODS AND COMPOSITIONS FOR BISUBSTRATE INHIBITORS OF ACETYLTRANSFERASES US GOV HEALTH & HUMAN SERV (US) 2005-12-07 — — EP disclosed
EP-1212056-A1 METHODS AND COMPOSITIONS FOR BISUBSTRATE INHIBITORS OF ACETYLTRANSFERASES The Government of the United States of America, as represented by the Secretary, Department of Health and Human Services (US) 2002-06-12 — — EP disclosed
US-20020002144-A1 Methods and compositions for bisubstrate inhibitors of acetyltransferases THE GOVERNMENT OF THE UNITED STATES OF AMERICA, DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 2002-01-03 — — US disclosed
WO-2001012185-A1 METHODS AND COMPOSITIONS FOR BISUBSTRATE INHIBITORS OF ACETYLTRANSFERASES THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2001-02-22 — — WO disclosed
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