SCHEMBL790141

SCHEMBL790141

COc1cc(C(Br)C=O)c([N+](=O)[O-])cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
MAPT P10636 5/20 0.55
CYP3A4 P08684 2/20 0.55
KDM4E B2RXH2 1/20 0.55
ALOX15 P16050 1/20 0.55
PRKDC P78527 1/20 0.55
HSD17B10 Q99714 1/20 0.55
CYP19A1 P11511 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
HTT P42858 2/20 0.41
POLB P06746 1/20 0.41
NPC1 O15118 1/20 0.39
CYP2D6 P10635 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL7266614 0.82 ALDH1A1 (0.51) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL30894831 0.79 ALDH1A1 (0.49) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL12436736 0.78 ALDH1A1 (0.54) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL9838820 0.78 ALDH1A1 (0.47) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL3914603 0.77 ALDH1A1 (0.54) ALDH1A1MAPTCYP3A4KDM4EALOX15
Ammonia Solution, Strong SCHEMBL27817247 0.77 ALDH1A1 (0.53) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL2187742 0.77 ALDH1A1 (0.53) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL9348477 0.77 ALDH1A1 (0.53) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL22691535 0.76 ALDH1A1 (0.53) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL16285730 0.76 ALDH1A1 (0.49) ALDH1A1MAPTCYP3A4KDM4EALOX15

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-2012036962-A2 C-TERMINAL AMIDATION OF POLYPEPTIDES AMYLIN PHARMACEUTICALS, INC. (US) 2012-03-22 WO disclosed