SCHEMBL5052176

SCHEMBL5052176

COSc1ccc(SOC)c(O)c1

nearest known ligand 0.31

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
KMT2A Q03164 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GAA P10253 1/20 0.31
THRB P10828 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31
MCL1 Q07820 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL10972114 0.78 ALOX15 (0.45) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL9574262 0.77 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL2911815 0.75 TP53 (0.46) KDM4EALDH1A1MAPTTP53HPGD
SCHEMBL7526557 0.75
SCHEMBL10372129 0.73 ALDH1A1 (0.50) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL10374434 0.72 CA12 (0.61) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL11201624 0.72 ALDH1A1 (0.48) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL7186712 0.71 TSHR (0.44) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL10835149 0.71 CYP3A4 (0.59) ALOX15HSD17B10TDP1
SCHEMBL2303871 0.70 NR1H2 (0.50) KDM4EMEN1ALDH1A1MAPTKMT2A

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-1192178-A2 RUFOMYCINS AND DERIVATIVES THEREOF USEFUL AS INHIBITORS OF MULTI-DRUG RESISTANCE ASSOCIATED PROTEIN-1 (MRP-1) ELI LILLY AND COMPANY (US) 2002-04-03 EP claimed
WO-2000078795-A2 RUFOMYCINS AND DERIVATIVES THEREOF USEFUL AS INHIBITORS OF MULTI-DRUG RESISTANCE ASSOCIATED PROTEIN-1 (MRP-1) ELI LILLY AND COMPANY (US) 2000-12-28 WO claimed
US-20080171211-A1 Using electrically conductive polymer which during change in potential releases anions which inhibit the anodic or/and cathodic partial reaction of corrosion or/and releases adhesion-promoting anions CHEMETALL GMBH (DE) 2008-07-17 US disclosed