SCHEMBL7847727

SCHEMBL7847727

O=C1[C@H](O)[C@@H](O)[C@@H](CCO)N1Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
EHMT2 Q96KQ7 1/20 0.46
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
GBA1 P04062 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
MGLL Q99685 1/20 0.39
MAN2B1 O00754 1/20 0.39
FUCA1 P04066 2/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
F2 P00734 1/20 0.37
PLG P00747 1/20 0.37
ELANE P08246 1/20 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
SCHEMBL7847725 1.00 MEN1 (0.50) MEN1KMT2AEHMT2CYP3A4TSHR
SCHEMBL4606172 0.88 MEN1 (0.53) MEN1KMT2AEHMT2CYP3A4TSHR
SCHEMBL7536658 0.88 MEN1 (0.53) MEN1KMT2AEHMT2CYP3A4TSHR
SCHEMBL7836669 0.79 MEN1 (0.47) MEN1KMT2AEHMT2CYP3A4TSHR
SCHEMBL7836666 0.79 MEN1 (0.47) MEN1KMT2AEHMT2CYP3A4TSHR
SCHEMBL19387511 0.79 MEN1 (0.58) MEN1KMT2AEHMT2CYP3A4TSHR
SCHEMBL11028601 0.71 EHMT2 (0.42) MEN1KMT2AEHMT2CYP3A4TSHR
SCHEMBL10754684 0.71 EHMT2 (0.36) MEN1KMT2AEHMT2CYP3A4TSHR
SCHEMBL19575265 0.71 BCHE (0.43) MEN1KMT2AEHMT2CYP3A4TSHR
SCHEMBL21066468 0.71 BCHE (0.43) MEN1KMT2AEHMT2CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0911336-B1 PYRIDONECARBOXYLIC ACID DERIVATIVES AND INTERMEDIATES FOR THE SYNTHESIS THEREOF DAINIPPON PHARMACEUTICAL CO (JP) 2001-11-28 EP disclosed
US-6017911-A BACTERICIDES DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2000-01-25 US disclosed
EP-0911336-A1 PYRIDONECARBOXYLIC ACID DERIVATIVES AND INTERMEDIATES FOR THE SYNTHESIS THEREOF DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1999-04-28 EP disclosed