SCHEMBL11201059

SCHEMBL11201059

CCOc1ccc(Nc2ccc(Cl)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.62
NFKB1 P19838 1/20 0.62
POLB P06746 4/20 0.57
NQO1 P15559 1/20 0.56
EHMT2 Q96KQ7 1/20 0.54
MAPT P10636 6/20 0.52
GAA P10253 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
ALDH1A1 P00352 2/20 0.51
TAS1R3 Q7RTX0 1/20 0.51
TAS1R1 Q7RTX1 1/20 0.51
TSHR P16473 1/20 0.51
TP53 P04637 3/20 0.51
SYK P43405 1/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50

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
SCHEMBL9514574 0.89 NQO1 (0.70) KDM4ENFKB1POLBNQO1MAPT
SCHEMBL49554 0.89 NQO1 (0.70) KDM4ENFKB1POLBNQO1MAPT
SCHEMBL156543 0.87 NQO1 (0.74) KDM4ENFKB1NQO1MAPTGAA
Ethyl Chloride SCHEMBL9703078 0.83 NQO1 (0.67) KDM4ENFKB1NQO1MAPTGAA
SCHEMBL13969477 0.82 KDM4E (0.55) KDM4ENFKB1POLBNQO1EHMT2
SCHEMBL8738419 0.82 NQO1 (0.58) KDM4ENFKB1POLBNQO1MAPT
SCHEMBL3440767 0.82 MAPT (0.63) KDM4ENFKB1POLBNQO1MAPT
SCHEMBL3627657 0.82 MAPT (0.71) KDM4ENFKB1POLBNQO1MAPT
SCHEMBL9479637 0.82 MAPT (0.63) KDM4ENFKB1POLBNQO1MAPT
SCHEMBL13756271 0.81 NQO1 (0.64) KDM4EPOLBNQO1MAPTSMN1; SMN2

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
US-RE31412-E FLUORAN COMPOUND AS COLOR-FORMER YAMAMOTO KAGAKU GOSEI KABUSHIKI KAISHA (JP) 1983-10-11 US disclosed