SCHEMBL3477614

SCHEMBL3477614

CC(=O)ONC(=O)c1cc(-c2ccccc2O)[nH]n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 8/20 0.45
MEN1 O00255 15/20 0.44
KMT2A Q03164 15/20 0.44
RAB9A P51151 9/20 0.44
NPC1 O15118 8/20 0.44
NFKB1 P19838 6/20 0.44
NFKB2 Q00653 6/20 0.44
RELA Q04206 6/20 0.44
ALOX12 P18054 5/20 0.44
LMNA P02545 3/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 7/20 0.43
SMN1; SMN2 Q16637 6/20 0.43
HPGD P15428 4/20 0.43
USP2 O75604 3/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 2/20 0.43
POLB P06746 1/20 0.43
NR2F2 P24468 1/20 0.41
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL4820546 0.85 HSD17B10 (0.54) ALOX15MEN1KMT2ARAB9ANPC1
SCHEMBL29057737 0.77 KMT2A (0.54) ALOX15MEN1KMT2ARAB9ANPC1
SCHEMBL1222694 0.77 ALOX15 (0.61) ALOX15MEN1KMT2ARAB9ANPC1
SCHEMBL1221861 0.75 ALOX15 (0.49) ALOX15MEN1KMT2ARAB9ANPC1
SCHEMBL9911604 0.75 MEN1 (0.57) ALOX15MEN1KMT2ARAB9ANPC1
SCHEMBL15503777 0.73 KMT2A (0.67) ALOX15MEN1KMT2ALMNAMAPT
SCHEMBL18499238 0.72 MEN1 (0.54) ALOX15MEN1KMT2ARAB9ANPC1
SCHEMBL4390142 0.70 HPGD (0.71) ALOX15MEN1KMT2ARAB9ANPC1
SCHEMBL13779277 0.70 HSD17B10 (0.58) ALOX15MEN1KMT2ARAB9ANPC1
SCHEMBL13954267 0.70 HPGD (0.50) MEN1KMT2ALMNAKDM4EMAPT

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
WO-2010075356-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-07-01 WO disclosed