SCHEMBL6424910

SCHEMBL6424910

CCOc1ccccc1NC(=O)CBr

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.77
CYP2C19 P33261 1/20 0.68
TSHR P16473 2/20 0.63
ALDH1A1 P00352 2/20 0.62
KMT2A Q03164 5/20 0.60
TDP1 Q9NUW8 3/20 0.60
POLB P06746 3/20 0.60
MEN1 O00255 2/20 0.60
CASP6 P55212 1/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
KDM4E B2RXH2 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.59
APAF1 O14727 1/20 0.57
GRK2 P25098 1/20 0.57
CTDSP1 Q9GZU7 1/20 0.57
LMNA P02545 3/20 0.57
MCL1 Q07820 1/20 0.57
USP2 O75604 1/20 0.56
GLA P06280 1/20 0.56
EGFR P00533 1/20 0.56

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
SCHEMBL29832117 1.00 GAA (0.77) GAACYP2C19TSHRALDH1A1KMT2A
SCHEMBL9312776 0.88 GAA (0.84) GAACYP2C19TSHRALDH1A1KMT2A
SCHEMBL5188518 0.87 GAA (0.81) GAACYP2C19TSHRALDH1A1KMT2A
SCHEMBL27103373 0.84 GAA (0.77) GAACYP2C19TSHRALDH1A1KMT2A
SCHEMBL18101767 0.84 GAA (0.77) GAACYP2C19TSHRALDH1A1KMT2A
SCHEMBL8752422 0.84 GAA (0.77) GAACYP2C19TSHRALDH1A1KMT2A
SCHEMBL30634403 0.84 GAA (0.77) GAACYP2C19TSHRALDH1A1KMT2A
SCHEMBL31146391 0.83 ALDH1A1 (0.65) TSHRALDH1A1KMT2APOLBMEN1
SCHEMBL9191016 0.83 ALDH1A1 (0.65) TSHRALDH1A1KMT2APOLBMEN1
SCHEMBL8110954 0.83 GAA (0.75) GAACYP2C19TSHRALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024043242-A1 HEART FAILURE TREATMENT VIA CARDIOTONIC EFFECT BY TRPC3/6/7 CHANNEL ACTIVATION 国立大学法人九州大学 2024-02-29 WO disclosed
WO-2023233994-A1 PHARMACEUTICAL COMPOSITION AND AUTOPHAGY ACTIVATOR 国立大学法人京都大学 2023-12-07 WO disclosed
WO-2022118966-A1 AGENT FOR PROMOTING NUCLEIC ACID MOLECULE UPTAKE INTO CELLS, PHARMACEUTICAL COMPOSITION, AND NOVEL COMPOUND 国立大学法人京都大学 2022-06-09 WO disclosed
CN-108276323-B 3-functionalized N (O, S) -heteroandene derivatives and application thereof in respiratory syncytial virus resistance 北京交通大学 2020-12-29 CN disclosed
WO-2014192865-A1 PHENYLPIPERAZINE DERIVATIVE 大日本住友製薬株式会社 (JP) 2014-12-04 WO disclosed
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