SCHEMBL3220396

SCHEMBL3220396

O=C(O)c1cccc(-c2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.95

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.91
LMNA P02545 1/20 0.66
GAA P10253 1/20 0.66
RXRA P19793 2/20 0.66
RXRB P28702 2/20 0.66
HDAC8 Q9BY41 1/20 0.62
DHODH Q02127 2/20 0.61
ERN1 O75460 1/20 0.61
EGFR P00533 1/20 0.57
DAO P14920 1/20 0.56
TSHR P16473 1/20 0.56
NAPRT Q6XQN6 1/20 0.56
TRIM24 O15164 1/20 0.56
TRIM33 Q9UPN9 1/20 0.56
ERCC5 P28715 1/20 0.56
FEN1 P39748 1/20 0.56
KEAP1 Q14145 1/20 0.56

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
SCHEMBL14683877 0.98 KMO (0.87) KMOLMNAGAARXRARXRB
SCHEMBL29577419 0.98 KMO (0.87) KMOLMNAGAARXRARXRB
SCHEMBL30436085 0.98 KMO (0.95) KMOLMNAGAARXRARXRB
SCHEMBL31752544 0.98 KMO (0.95) KMOLMNAGAARXRARXRB
SCHEMBL250880 0.98 KMO (0.95) KMOLMNAGAARXRARXRB
Biphenyl SCHEMBL9652651 0.95 KMO (0.91) KMOLMNAGAARXRARXRB
SCHEMBL849169 0.95 KMO (1.00) KMOLMNAGAARXRARXRB
Hydrochloric Acid SCHEMBL30713416 0.95 KMO (0.91) KMOLMNAGAARXRARXRB
SCHEMBL28690696 0.95 KMO (0.91) KMOLMNAGAARXRARXRB
SCHEMBL28702560 0.95 KMO (0.91) KMOLMNAGAARXRARXRB

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