SCHEMBL6957844

SCHEMBL6957844

Nc1ccc(OCC(=O)NCc2ccccc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.79
HPGD P15428 1/20 0.79
ALDH1A1 P00352 4/20 0.69
CYP2C19 P33261 2/20 0.67
L3MBTL1 Q9Y468 2/20 0.67
CYP2C9 P11712 1/20 0.67
HTT P42858 1/20 0.65
POLB P06746 1/20 0.65
MEN1 O00255 2/20 0.60
KDM4E B2RXH2 1/20 0.60
THRB P10828 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
SGMS1 Q86VZ5 1/20 0.60
ERCC1 P07992 1/20 0.58
ERCC4 Q92889 1/20 0.58
TSHR P16473 1/20 0.57
RECQL P46063 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
RAB9A P51151 1/20 0.57

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
SCHEMBL5272168 0.89 KMT2A (1.00) KMT2AHPGDALDH1A1CYP2C19L3MBTL1
SCHEMBL9273340 0.88 KMT2A (0.84) KMT2AHPGDALDH1A1CYP2C19L3MBTL1
SCHEMBL9273628 0.86 KMT2A (0.82) KMT2AHPGDALDH1A1CYP2C19L3MBTL1
SCHEMBL9271748 0.86 KMT2A (0.82) KMT2AHPGDALDH1A1CYP2C19L3MBTL1
SCHEMBL28569414 0.85 ALDH1A1 (0.60) KMT2AHPGDALDH1A1CYP2C19L3MBTL1
SCHEMBL14032740 0.85 HTT (0.82) KMT2AHPGDALDH1A1CYP2C19L3MBTL1
SCHEMBL14112020 0.85 KMT2A (0.79) KMT2AHPGDALDH1A1CYP2C19L3MBTL1
SCHEMBL9271522 0.84 ALDH1A1 (0.82) KMT2AHPGDALDH1A1CYP2C19L3MBTL1
SCHEMBL10594022 0.84 KMT2A (0.77) KMT2AHPGDALDH1A1CYP2C19L3MBTL1
SCHEMBL1695939 0.83 KMT2A (0.88) KMT2AHPGDALDH1A1CYP2C19L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112759564-B Diaryl urea compound and its prepn and medicinal use 中国医学科学院药物研究所 2023-09-26 CN disclosed
CN-112759564-A Diaryl urea compound and its preparation method and medicinal use 中国医学科学院药物研究所 2021-05-07 CN disclosed
EP-0713483-B1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRAZENECA AB (SE) 2003-01-15 EP disclosed
US-6030985-A Amidine derivatives with nitric oxide synthetase activities ASTRA AKTIEBOLAG (SE) 2000-02-29 US disclosed
US-5807885-A Amidine derivatives with nitric oxide synthetase activities ASTRA AKTIEBOLAG (SE) 1998-09-15 US disclosed
EP-0713483-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES Astra Aktiebolag (SE) 1996-05-29 EP disclosed
WO-1995005363-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRA AKTIEBOLAG (SE) 1995-02-23 WO disclosed