SCHEMBL9499742

SCHEMBL9499742

COc1cccc2c1ccc(=O)n2O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.51
HTR2C P28335 1/20 0.44
CYP2A6 P11509 1/20 0.44
HTR6 P50406 2/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
PABPC1 P11940 1/20 0.43
XBP1 P17861 1/20 0.43
NFKB1 P19838 1/20 0.43
HTT P42858 1/20 0.43
SMARCA2 P51531 1/20 0.43
NFKB2 Q00653 1/20 0.43
KMT2A Q03164 1/20 0.43
RELA Q04206 1/20 0.43
CYP19A1 P11511 1/20 0.41
NQO2 P16083 1/20 0.41
FABP4 P15090 1/20 0.40

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
SCHEMBL17576252 0.81 KDM4E (0.49) HTR2CCYP2A6HTR6MAPTKDM4E
SCHEMBL9495836 0.77 DAO (0.47) DAOHTR2CCYP2A6MAPTKDM4E
SCHEMBL28033876 0.76 MTNR1B (0.40) DAOHTR2CCYP2A6HTR6MAPT
SCHEMBL2800336 0.73 TNFRSF1A (0.43) HTR2CCYP2A6HTR6MAPTALDH1A1
SCHEMBL28682498 0.73 HTR2C (0.51) DAOHTR2CHTR6MAPTKDM4E
SCHEMBL2798034 0.72 CCR2 (0.39) HTR2CCYP2A6HTR6KDM4ELMNA
SCHEMBL8844829 0.71 KCNA3 (0.46) HTR2CMAPTALDH1A1LMNAPOLB
SCHEMBL4557712 0.68 CYP19A1 (0.41) DAOMAPTKDM4EALDH1A1LMNA
SCHEMBL29992724 0.68 HTR6 (0.52) DAOHTR2CHTR6KDM4EALDH1A1
SCHEMBL15018734 0.68 HTR6 (0.52) DAOHTR2CHTR6KDM4EALDH1A1

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
EP-0240859-B1 LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1993-04-28 EP disclosed