SCHEMBL28054343

SCHEMBL28054343

CCCCCCCCCCCCCCCCCCCCCCN=CCO

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
TSHR P16473 2/20 0.42
HSD17B10 Q99714 1/20 0.42
THRB P10828 3/20 0.38
NAAA Q02083 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 2/20 0.37
HTT P42858 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CA12 O43570 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL2900135 1.00 MEN1 (0.43) MEN1KMT2AALDH1A1LMNATSHR
SCHEMBL21647611 1.00 MEN1 (0.43) MEN1KMT2AALDH1A1LMNATSHR
SCHEMBL28826404 1.00 MEN1 (0.43) MEN1KMT2AALDH1A1LMNATSHR
SCHEMBL28457008 1.00 MEN1 (0.43) MEN1KMT2AALDH1A1LMNATSHR
SCHEMBL872824 1.00 MEN1 (0.43) MEN1KMT2AALDH1A1LMNATSHR
SCHEMBL28457026 1.00 MEN1 (0.43) MEN1KMT2AALDH1A1LMNATSHR
SCHEMBL287739 1.00 MEN1 (0.43) MEN1KMT2AALDH1A1LMNATSHR
SCHEMBL28462442 1.00 MEN1 (0.43) MEN1KMT2AALDH1A1LMNATSHR
Hydrochloric Acid SCHEMBL28261063 0.98 MEN1 (0.41) MEN1KMT2AALDH1A1LMNATSHR
SCHEMBL872485 0.98

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104379836-B The manufacture method of softening agent for paper, paper and sanitary paper 星光PMC株式会社 2016-06-22 CN disclosed