SCHEMBL3208003

SCHEMBL3208003

O=C(O)c1cccc(-c2ccc(-c3ccccc3)c(Cl)c2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 3/20 0.62
RXRA P19793 2/20 0.60
RXRB P28702 2/20 0.60
SRD5A2 P31213 1/20 0.54
MAP4K4 O95819 1/20 0.53
PDK2 Q15119 1/20 0.51
HSD17B1 P14061 1/20 0.50
HSD17B2 P37059 1/20 0.50
MARS1 P56192 1/20 0.49
TDP2 O95551 1/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
ERN1 O75460 1/20 0.49
AXL P30530 1/20 0.48
PRKAG1 P54619 3/20 0.48
PRKAA2 P54646 3/20 0.48
PRKAB1 Q9Y478 3/20 0.48
PRKAB2 O43741 1/20 0.48
PRKAA1 Q13131 1/20 0.48
PRKAG3 Q9UGI9 1/20 0.48

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
SCHEMBL6254589 0.86 RXRA (0.59) KMORXRARXRBSRD5A2HSD17B1
SCHEMBL2044221 0.86 SRD5A2 (0.60) KMORXRARXRBSRD5A2HSD17B1
SCHEMBL3540530 0.84 KMO (0.66) KMORXRARXRBMAP4K4LMNA
SCHEMBL442436 0.83 SRD5A2 (0.62) KMORXRARXRBSRD5A2MAP4K4
SCHEMBL2371293 0.83 KMO (0.61) KMORXRARXRB
SCHEMBL3220396 0.82 KMO (0.91) KMORXRARXRBLMNAGAA
SCHEMBL6253145 0.80 SRD5A2 (0.72) RXRARXRBSRD5A2MAP4K4HSD17B1
SCHEMBL23296152 0.80 RXRA (0.60) KMORXRARXRBMAP4K4LMNA
SCHEMBL14683877 0.80 KMO (0.87) KMORXRARXRBTDP2LMNA
SCHEMBL29577419 0.80 KMO (0.87) KMORXRARXRBTDP2LMNA

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
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US claimed