SCHEMBL31408657

SCHEMBL31408657

Fc1cccc(-c2ccccc2Br)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.58
ALDH1A1 P00352 1/20 0.58
RELA Q04206 2/20 0.48
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
TAAR1 Q96RJ0 3/20 0.44
ESR2 Q92731 1/20 0.44
PIK3R1 P27986 1/20 0.43
PIK3CA P42336 1/20 0.43
MAOB P27338 1/20 0.42
PDK2 Q15119 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 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
SCHEMBL3564382 1.00 MAPK1 (0.58) MAPK1ALDH1A1RELAKDM4EHPGD
SCHEMBL28818819 0.92 MAPK1 (0.48) MAPK1ALDH1A1RELAKDM4EHPGD
SCHEMBL17709510 0.84 ALDH1A1 (0.71) MAPK1ALDH1A1RELAKDM4EHPGD
SCHEMBL20593951 0.83 ALDH1A1 (0.56) MAPK1ALDH1A1RELAKDM4EHPGD
SCHEMBL25009792 0.81 KDM4E (0.43) MAPK1ALDH1A1RELAKDM4EHPGD
SCHEMBL29287259 0.81 KDM4E (0.47) MAPK1ALDH1A1RELAKDM4EHPGD
SCHEMBL19503242 0.80 HTT (0.49) MAPK1RELAKDM4EHPGDNPSR1
SCHEMBL31168142 0.80 HTT (0.49) MAPK1RELAKDM4EHPGDNPSR1
SCHEMBL21122116 0.80 TAAR1 (0.40) MAPK1ALDH1A1RELAKDM4EHPGD
SCHEMBL19107130 0.78 MAPK1 (0.70) MAPK1ALDH1A1RELANPSR1MAOB

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-119504523-A Preparation method of fluorine-containing phenyl sulfoxide compound 苏州源起材料科技有限公司 2025-02-25 CN disclosed