SCHEMBL26545151

SCHEMBL26545151

CCc1cc(F)cc(-c2ncc(F)cn2)c1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 2/20 0.34
ABCB1 P08183 1/20 0.34
ABCC1 P33527 1/20 0.34
PTGS2 P35354 1/20 0.33
ATP4A P20648 1/20 0.33
ATP4B P51164 1/20 0.33
FYN P06241 2/20 0.33
TYK2 P29597 7/20 0.32
JAK1 P23458 2/20 0.32
JAK2 O60674 1/20 0.32
KDR P35968 1/20 0.32
JAK3 P52333 1/20 0.32
AURKB Q96GD4 1/20 0.32
HTR2A P28223 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
CYP2C19 P33261 1/20 0.32
P2RX3 P56373 1/20 0.31

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
SCHEMBL21091002 0.80 TYK2 (0.39) ATP4AATP4BFYNTYK2JAK1
SCHEMBL24497533 0.79 TYK2 (0.33) DHFRABCB1ABCC1FYNTYK2
SCHEMBL26545645 0.78 TPMT (0.33) ABCB1ABCC1FYNTYK2JAK1
SCHEMBL24899717 0.78 FYN (0.40) FYNTYK2JAK1CYP2C19
SCHEMBL21547599 0.77 PTGS2 (0.46) DHFRPTGS2HTR2A
SCHEMBL26511743 0.75 P2RX3 (0.32) FYNTYK2JAK1CYP2C19P2RX3
SCHEMBL26118652 0.75 TPMT (0.40) ABCB1ABCC1JAK2
SCHEMBL26514504 0.74 ATP4A (0.30) ATP4AATP4B
SCHEMBL9886154 0.72 PTGS2 (0.42) PTGS2HTR2A
SCHEMBL29020402 0.72 TYK2 (0.38) ABCB1ABCC1TYK2HDAC3HDAC1

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
EP-4257587-A1 HYDROXAMATE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shenzhen Chipscreen Biosciences Co., Ltd. (CN) 2023-10-11 EP disclosed