SCHEMBL31187366

SCHEMBL31187366

CCNC(=O)c1cccc2cc3cc(Br)ccc3cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.44
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
KDR P35968 2/20 0.43
AURKA O14965 1/20 0.43
LCK P06239 1/20 0.43
MET P08581 1/20 0.43
TEK Q02763 1/20 0.43
AURKB Q96GD4 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MTNR1A P48039 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
DHODH Q02127 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PLAU P00749 1/20 0.39
SLC6A19 Q695T7 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL8045771 0.87 KDM4E (0.56) KDM4EALDH1A1GAAKDRAURKA
SCHEMBL31187382 0.85 AOX1 (0.46) KDM4EALDH1A1GAAKDRAURKA
SCHEMBL31187364 0.83 MTNR1A (0.60) KDRAURKALCKMETTEK
SCHEMBL163431 0.75 KMT2A (0.46) KDM4EALDH1A1GAAKDRAURKA
SCHEMBL1736411 0.74 CYP3A4 (0.53) RXFP1MEN1KMT2ACYP1A2CYP2C19
SCHEMBL8045020 0.74 ALDH1A1 (0.57) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL2117675 0.74 PLK1 (0.66) ALDH1A1MEN1KMT2AMMP3HDAC8
SCHEMBL4718854 0.73 ALDH1A1 (0.56) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL30226304 0.72 KDM4E (0.51) KDM4EALDH1A1GAAKDRAURKA
SCHEMBL9545429 0.72 ALDH1A1 (0.63) KDM4EALDH1A1GAAMEN1KMT2A

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-119100984-A Fluorescent probe for detecting rice blast bacteria and method for detecting rice blast bacteria through fluorescent imaging 华南农业大学 2024-12-10 CN disclosed