SCHEMBL8288773

SCHEMBL8288773

Cc1sc(NC(=O)Cn2nc([N+](=O)[O-])c(Br)c2C)c(C(N)=O)c1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.61
LMNA P02545 3/20 0.61
POLB P06746 2/20 0.61
ALDH1A1 P00352 4/20 0.57
KMT2A Q03164 8/20 0.56
GAA P10253 2/20 0.56
MEN1 O00255 6/20 0.54
CYP1A2 P05177 3/20 0.54
CYP2C19 P33261 3/20 0.54
CYP2C9 P11712 2/20 0.54
HPGD P15428 1/20 0.53
CYP2D6 P10635 1/20 0.52
HTT P42858 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
AIP O00170 1/20 0.48
SGTA O43765 1/20 0.48
TOMM70 O94826 1/20 0.48
STIP1 P31948 1/20 0.48
PPP5C P53041 1/20 0.48
FKBP4 Q02790 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
SCHEMBL14586394 0.85 ALDH1A1 (0.48) MAPTLMNAPOLBALDH1A1KMT2A
SCHEMBL681864 0.83 ALDH1A1 (0.80) MAPTLMNAPOLBALDH1A1KMT2A
SCHEMBL1520444 0.75 MAPT (0.61) MAPTLMNAPOLBALDH1A1KMT2A
SCHEMBL2760504 0.71 MAPT (0.60) MAPTLMNAPOLBALDH1A1KMT2A
SCHEMBL3285724 0.71 ALDH1A1 (0.79) MAPTLMNAPOLBALDH1A1KMT2A
SCHEMBL18177310 0.68 MAPT (0.61) MAPTLMNAPOLBALDH1A1KMT2A
SCHEMBL3918756 0.67 ALDH1A1 (0.70) MAPTLMNAPOLBALDH1A1KMT2A
SCHEMBL3279956 0.66 MAPT (0.61) MAPTLMNAPOLBALDH1A1KMT2A
SCHEMBL3453384 0.65 LMNA (0.64) MAPTLMNAPOLBALDH1A1KMT2A
SCHEMBL8288774 0.64 GRM1 (0.66) MAPTALDH1A1GAAHPGD

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
WO-2005033102-A2 THIOPHENE-BASED COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF AMPHORA DISCOVERY CORPORATION (US) 2005-04-14 WO disclosed