SCHEMBL2966930

SCHEMBL2966930

Cc1c(CO)c(=O)n(-c2ccccc2)n1C

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.63
ALDH1A1 P00352 1/20 0.63
BCHE P06276 1/20 0.58
PTGS2 P35354 1/20 0.58
KDM4E B2RXH2 4/20 0.57
LMNA P02545 3/20 0.57
ADORA3 P0DMS8 1/20 0.57
TSHR P16473 3/20 0.56
CYP1A2 P05177 2/20 0.55
THRB P10828 1/20 0.55
NAPRT Q6XQN6 1/20 0.55
POLB P06746 1/20 0.54
KMT2A Q03164 3/20 0.53
MAPT P10636 2/20 0.51
CYP2D6 P10635 1/20 0.51
PTGS1 P23219 1/20 0.51
GAA P10253 2/20 0.50
MEN1 O00255 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL1780354 0.87 ALDH1A1 (0.59) ALOX15ALDH1A1BCHEPTGS2KDM4E
4,4-Diantipyrylmethane Monohydrate SCHEMBL3879841 0.86 ALOX15 (0.62) ALOX15ALDH1A1BCHEPTGS2KDM4E
4,4-Diantipyrylmethane Monohydrate SCHEMBL8664775 0.85 ALOX15 (0.60) ALOX15ALDH1A1BCHEPTGS2KDM4E
SCHEMBL4324895 0.85 ALOX15 (0.60) ALOX15ALDH1A1BCHEPTGS2KDM4E
SCHEMBL5718031 0.84 ALOX15 (0.64) ALOX15ALDH1A1BCHEPTGS2KDM4E
SCHEMBL28049673 0.83 BCHE (0.63) ALOX15ALDH1A1BCHEPTGS2KDM4E
SCHEMBL644930 0.82 POLB (0.60) ALOX15ALDH1A1BCHEPTGS2KDM4E
SCHEMBL22689599 0.82 KDM4E (0.63) ALOX15ALDH1A1BCHEPTGS2KDM4E
SCHEMBL1780443 0.82 KDM4E (0.59) ALOX15ALDH1A1BCHEPTGS2KDM4E
SCHEMBL5209603 0.81 ALOX15 (0.60) ALOX15ALDH1A1BCHEPTGS2KDM4E

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-7770534-B2 Changed condition indicator THERMOPROX 2010-08-10 US disclosed
US-20070151502-A1 Changed condition indicator THERMOPROX 2007-07-05 US disclosed