SCHEMBL6568111

SCHEMBL6568111

CCC=C(Cl)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ATM Q13315 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HIF1A Q16665 2/20 0.39
CES1 P23141 4/20 0.39
CES2 O00748 3/20 0.39
MAPK1 P28482 2/20 0.37
TRPA1 O75762 1/20 0.37
GSK3B P49841 1/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
LMNA P02545 1/20 0.35
PTGS2 P35354 1/20 0.35
KDM4E B2RXH2 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL11032398 1.00 KMT2A (0.49) KMT2AMEN1SMN1; SMN2NPSR1ATM
SCHEMBL28173432 0.81 MEN1 (0.45) KMT2AMEN1SMN1; SMN2NPSR1ATM
SCHEMBL4631463 0.79 KMT2A (0.42) KMT2AMEN1SMN1; SMN2NPSR1ATM
SCHEMBL10880294 0.79 ALDH1A1 (0.43) KMT2AMEN1SMN1; SMN2NPSR1ALDH1A1
SCHEMBL4631460 0.79 KMT2A (0.42) KMT2AMEN1SMN1; SMN2NPSR1ATM
SCHEMBL10630432 0.79 ALDH1A1 (0.43) KMT2AMEN1SMN1; SMN2NPSR1ALDH1A1
SCHEMBL10630435 0.79 ALDH1A1 (0.43) KMT2AMEN1SMN1; SMN2NPSR1ALDH1A1
SCHEMBL11568766 0.78 HTR7 (0.40) KMT2ASMN1; SMN2ALDH1A1CES1CES2
SCHEMBL17188609 0.77 MEN1 (0.41) KMT2AMEN1SMN1; SMN2NPSR1ALDH1A1
SCHEMBL13058137 0.77 MEN1 (0.41) KMT2AMEN1SMN1; SMN2NPSR1ALDH1A1

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
JP-59036627-A None JP disclosed
CN-114053746-B Method for recycling iron ions and sodium ions in vinyl chloride high-boiling residues 中国石油化工股份有限公司 2022-12-27 CN disclosed
CN-114053746-A Method for recycling iron ions and sodium ions in vinyl chloride high-boiling residues 中国石油化工股份有限公司 2022-02-18 CN disclosed
US-9161922-B2 Amine oxidase inhibitors CASE WESTERN RESERVE UNIVERSITY (US) 2015-10-20 US disclosed
US-20080199933-A1 Amine Oxidase Inhibitors SAYRE LAWRENCE M 2008-08-21 US disclosed
EP-1478403-A1 RESPONSIVE MICROGEL AND METHODS RELATED THERETO SUPRATEK PHARMA, INC. (CA) 2004-11-24 EP disclosed
WO-2003063909-A1 RESPONSIVE MICROGEL AND METHODS RELATED THERETO SUPRATEK PHARMA INC. (US) 2003-08-07 WO disclosed
JP-S5936627-A PREPARATION OF ISOBUTYLBENZENE SANYO CHEM IND LTD 1984-02-28 JP disclosed