SCHEMBL6989745

SCHEMBL6989745

CCc1cccc2nc(OCCCBr)ccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 8/20 0.40
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
ELANE P08246 2/20 0.37
ABCB11 O95342 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
GAA P10253 1/20 0.37
CYP2D6 P10635 1/20 0.37
HPGD P15428 1/20 0.37
SCN1A P35498 1/20 0.37
OPRK1 P41145 1/20 0.37
KCNH2 Q12809 1/20 0.37
CACNA1C Q13936 1/20 0.37
SCN5A Q14524 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GHSR Q92847 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL5217396 0.83 NCF1 (0.41) NCF1LMNAHTTCYBBMAPT
SCHEMBL18379257 0.79 BCL2L11 (0.43) KDM4EALDH1A1ELANEHPGD
SCHEMBL5213941 0.75 NCF1 (0.41) NCF1LMNAHTTCYBBMAPT
SCHEMBL9199234 0.74 MEN1 (0.61) NCF1CYP1A2MAPTMEN1KMT2A
SCHEMBL5216335 0.72 HTR7 (0.37) NCF1KDM4EALDH1A1ELANELMNA
SCHEMBL8720154 0.70 TLR8 (0.43) NCF1KDM4EALDH1A1ABCB11LMNA
SCHEMBL8719437 0.69 TLR8 (0.44) NCF1CYP2D6MAPT
SCHEMBL8720596 0.69 LTA4H (0.43) KDM4EALDH1A1ABCB11LMNACYP1A2
SCHEMBL8720128 0.69 TLR8 (0.44) NCF1CYP2D6MAPT
SCHEMBL8722611 0.69 TLR8 (0.44) NCF1CYP2D6MAPT

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
EP-1330460-A2 BENZOXAZINONE DERIVATIVES, THEIR PREPARATION AND USE SMITHKLINE BEECHAM PLC (GB) 2003-07-30 EP disclosed
WO-2002034754-A2 BENZOXAZINONE DERIVATIVES, THEIR PREPARATION AND USE SMITHKLINE BEECHAM P.L.C. (GB) 2002-05-02 WO disclosed