SCHEMBL6424904

SCHEMBL6424904

O=C(CF)NCCc1c[nH]c2ccccc12

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AANAT Q16613 1/20 0.75
MEN1 O00255 6/20 0.73
KMT2A Q03164 6/20 0.73
LMNA P02545 1/20 0.70
CYP1A2 P05177 1/20 0.70
PKM P14618 1/20 0.70
TSHR P16473 1/20 0.70
CYP2C19 P33261 1/20 0.70
BLM P54132 1/20 0.70
MTNR1A P48039 2/20 0.68
MMP9 P14780 1/20 0.67
NPC1 O15118 1/20 0.67
RAB9A P51151 1/20 0.67
SIRT1 Q96EB6 2/20 0.64
USP2 O75604 1/20 0.63
ALDH1A1 P00352 1/20 0.63
FAAH O00519 1/20 0.62
MAPT P10636 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62

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
SCHEMBL4536522 0.89 AANAT (0.80) AANATMEN1KMT2ALMNACYP1A2
SCHEMBL7677886 0.87 MEN1 (0.84) AANATMEN1KMT2ALMNACYP1A2
SCHEMBL5903804 0.87 AANAT (0.77) AANATMEN1KMT2ALMNACYP1A2
SCHEMBL10069200 0.87 AANAT (0.77) AANATMEN1KMT2ALMNACYP1A2
SCHEMBL761155 0.86 MTNR1A (0.76) AANATMEN1KMT2ALMNACYP1A2
SCHEMBL6424908 0.86 AANAT (1.00) AANATMEN1KMT2ALMNACYP1A2
SCHEMBL6703004 0.86 AANAT (0.75) AANATMEN1KMT2ALMNACYP1A2
SCHEMBL20227977 0.86 AANAT (0.75) AANATMEN1KMT2ALMNACYP1A2
SCHEMBL31114206 0.86 MTNR1A (0.76) AANATMEN1KMT2ALMNACYP1A2
Hydrochloric Acid SCHEMBL3826492 0.84 MTNR1A (0.74) AANATMEN1KMT2ALMNACYP1A2

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