SCHEMBL27474641

SCHEMBL27474641

CCOC1=C(C)N(Cc2ccccc2)CS1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.43
MEN1 O00255 5/20 0.43
ALDH1A1 P00352 5/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 4/20 0.40
DRD3 P35462 2/20 0.40
HTT P42858 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX15 P16050 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 3/20 0.37
MAPK1 P28482 2/20 0.37
POLB P06746 2/20 0.37

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
Hydrochloric Acid SCHEMBL27474142 0.98 KMT2A (0.43) KMT2AMEN1ALDH1A1NPSR1LMNA
SCHEMBL27707083 0.77 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1NPSR1LMNA
Hydrochloric Acid SCHEMBL9574607 0.76 ALDH1A1 (0.45) KMT2AMEN1ALDH1A1NPSR1LMNA
Hydrochloric Acid SCHEMBL9574577 0.72 ALDH1A1 (0.42) KMT2AMEN1ALDH1A1NPSR1LMNA
SCHEMBL27488987 0.72 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1NPSR1LMNA
SCHEMBL4252730 0.70 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1NPSR1LMNA
Bromide SCHEMBL28521427 0.70 ALDH1A1 (0.40) KMT2AMEN1ALDH1A1NPSR1LMNA
SCHEMBL28784285 0.69 PARP1 (0.45) KMT2AMEN1ALDH1A1NPSR1LMNA
Bromide SCHEMBL7626002 0.69 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1NPSR1LMNA
Hydrochloric Acid SCHEMBL313570 0.69 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1NPSR1LMNA

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
CN-1142778-C Use of thiazolium compounds for preventing and reversing the formation of advanced glycosylation endproducts 2004-03-24 CN claimed
CN-106117055-B A kind of synthetic method of vinyl tri carbonyl compound and the like 安徽国星生物化学有限公司 2018-11-06 CN disclosed
CN-108440370-A Inhibitors of viral replication 鲁汶天主教大学 2018-08-24 CN disclosed
CN-104024223-B Inhibitors of viral replication 鲁汶天主教大学 2018-07-24 CN disclosed
CN-100486573-C Nitrocessed and nitrosylated cyclooxygenase-2 inhibitors, compositions, and uses thereof NITROMED INC (US) 2009-05-13 CN disclosed
CN-101426503-A Compositions and methods of treatment for inhibiting kinase and/or HMG-COA reductase PHARMIX CORP (US) 2009-05-06 CN disclosed
CN-1434712-A Nitrosated and nitrosylated cyclooxygenase-2 inhibitors compositions and methods of use NITROMED INC (US) 2003-08-06 CN disclosed
CN-1268937-A Novel compound having effect of promoting neuron differentiation NIPPON KAYAKU KK (JP) 2000-10-04 CN disclosed