SCHEMBL6425731

SCHEMBL6425731

O=C(CF)NCCc1c[nH]c2ccc(O)cc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SPR P35270 4/20 0.72
▸ KDM4E B2RXH2 3/20 0.72
▸ ALDH1A1 P00352 2/20 0.72
▸ NPSR1 Q6W5P4 2/20 0.72
▸ CYP2D6 P10635 2/20 0.72
▸ CYP1A2 P05177 1/20 0.72
▸ CYP3A4 P08684 1/20 0.72
▸ MAPT P10636 1/20 0.72
▸ IDO1 P14902 1/20 0.72
▸ HPGD P15428 1/20 0.72
▸ BLM P54132 1/20 0.72
▸ NOTUM Q6P988 1/20 0.72
▸ TRPV1 Q8NER1 8/20 0.67
▸ PTGS1 P23219 1/20 0.63
▸ PTGS2 P35354 1/20 0.63
▸ LMNA P02545 1/20 0.63
▸ TDP1 Q9NUW8 1/20 0.63
▸ MEN1 O00255 1/20 0.63
▸ HTR2C P28335 1/20 0.63
▸ KMT2A Q03164 1/20 0.63

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
SCHEMBL2271234 0.88 SPR (0.74) SPRKDM4EALDH1A1NPSR1CYP2D6
SCHEMBL25137286 0.88 TRPV1 (0.76) SPRKDM4EALDH1A1NPSR1CYP2D6
SCHEMBL6424921 0.87 SPR (0.72) SPRKDM4EALDH1A1NPSR1CYP2D6
SCHEMBL1131640 0.87 SPR (0.76) SPRKDM4EALDH1A1NPSR1CYP2D6
SCHEMBL4686124 0.86 TRPV1 (0.84) SPRKDM4EALDH1A1NPSR1CYP2D6
SCHEMBL1960963 0.85 SPR (0.78) SPRKDM4EALDH1A1NPSR1CYP2D6
Bufobutanoic Acid SCHEMBL22804772 0.85 TRPV1 (0.71) SPRKDM4EALDH1A1NPSR1CYP2D6
Bufobutanoic Acid SCHEMBL29679385 0.85 TRPV1 (0.71) SPRKDM4EALDH1A1NPSR1CYP2D6
SCHEMBL13996187 0.85 SPR (0.73) SPRKDM4EALDH1A1NPSR1CYP2D6
SCHEMBL13645692 0.84 SPR (0.76) SPRKDM4EALDH1A1NPSR1CYP2D6

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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