SCHEMBL28114907

SCHEMBL28114907

O=C(O)Cc1ccc(CBr)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.56
KDM4E B2RXH2 3/20 0.42
MAPT P10636 3/20 0.42
HPGD P15428 3/20 0.42
HSD17B10 Q99714 3/20 0.42
POLB P06746 2/20 0.42
RGS12 O14924 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
APEX1 P27695 1/20 0.42
THPO P40225 1/20 0.42
BLM P54132 1/20 0.42
GNAI1 P63096 1/20 0.42
PMP22 Q01453 1/20 0.42
HIF1A Q16665 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PDK1 Q15118 1/20 0.41
SNCA P37840 2/20 0.41

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
SCHEMBL15272523 0.89 CYP1A2 (0.71) CYP1A2KDM4EMAPTHPGDHSD17B10
SCHEMBL4267066 0.83 SNCA (0.44) CYP1A2MAPTPOLBTSHRPDK1
SCHEMBL1865824 0.82 CASP6 (0.55) CYP1A2KDM4EMAPTHPGDHSD17B10
SCHEMBL15823182 0.81 CYP1A2 (0.47) CYP1A2KDM4EMAPTHPGDHSD17B10
SCHEMBL10370637 0.81 CYP1A2 (0.47) CYP1A2KDM4EMAPTHPGDHSD17B10
SCHEMBL5563733 0.81 LMNA (0.43) CYP1A2MAPTHPGDPOLBLMNA
SCHEMBL11394570 0.79 LOXL2 (0.47) CYP1A2MAPTPOLBTSHRTDP1
SCHEMBL2710180 0.79 MAPT (0.59) CYP1A2KDM4EMAPTHPGDHSD17B10
SCHEMBL7418264 0.79 CYP1A2 (0.57) CYP1A2KDM4EMAPTHPGDHSD17B10
SCHEMBL231627 0.79 MAPT (0.59) CYP1A2KDM4EMAPTHPGDHSD17B10

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
CN-106132422-A Adoptive cell therapy using agonists of retinoic acid receptor-associated orphan receptor gamma & related therapeutic methods 莱斯拉公司 2016-11-16 CN disclosed