SCHEMBL3800612

SCHEMBL3800612

C=C[C](O)Sc1nc2ccccc2o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.48
MEN1 O00255 4/20 0.48
HPGD P15428 4/20 0.48
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
ALDH1A1 P00352 6/20 0.47
DDAH1 O94760 1/20 0.46
ADRA2C P18825 1/20 0.46
MAPT P10636 4/20 0.46
HSD17B10 Q99714 3/20 0.46
LMNA P02545 3/20 0.46
F2 P00734 1/20 0.46
MIF P14174 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.45
TSHR P16473 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
GFER P55789 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.44

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
SCHEMBL3176468 0.78 KMT2A (0.59) KMT2AMEN1HPGDRAB9ANPC1
SCHEMBL31293729 0.76 DDAH1 (0.51) KMT2AMEN1HPGDRAB9ANPC1
SCHEMBL8383277 0.76 DDAH1 (0.51) KMT2AMEN1HPGDRAB9ANPC1
SCHEMBL14390764 0.75 ALDH1A1 (0.42) KMT2AMEN1HPGDRAB9ANPC1
SCHEMBL11589126 0.73 ALDH1A1 (0.65) KMT2AMEN1HPGDRAB9ANPC1
SCHEMBL10759957 0.73 KMT2A (0.62) KMT2AMEN1HPGDRAB9ANPC1
SCHEMBL361715 0.73 DDAH1 (0.49) KMT2AMEN1HPGDRAB9ANPC1
SCHEMBL6246856 0.73 DDAH1 (0.56) KMT2AMEN1HPGDRAB9ANPC1
SCHEMBL10758194 0.73 KMT2A (0.50) KMT2AMEN1HPGDRAB9ANPC1
SCHEMBL10758191 0.73 KMT2A (0.50) KMT2AMEN1HPGDRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7833331-B2 Non-toxic corrosion-protection pigments based on cobalt UNIVERSITY OF DAYTON (US) 2010-11-16 US disclosed
US-20090163628-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON COBALT STURGILL JEFFREY ALLEN 2009-06-25 US disclosed