SCHEMBL24254643

SCHEMBL24254643

Fc1c(F)c(F)c(N(c2ccccc2-c2ccccc2N(c2c(F)c(F)c(F)c(F)c2F)c2cccc3ccccc23)c2cccc3ccccc23)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.40
NISCH Q9Y2I1 1/20 0.33
ALDH1A1 P00352 5/20 0.32
CYP2A6 P11509 3/20 0.32
TSHR P16473 3/20 0.32
HSD17B10 Q99714 3/20 0.32
TDP1 Q9NUW8 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
POLB P06746 2/20 0.32
CYP1A2 P05177 2/20 0.31
HPGD P15428 2/20 0.31
CYP3A4 P08684 1/20 0.31
KEAP1 Q14145 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31
HIF1A Q16665 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HPRT1 P00492 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL24254710 0.91 SIGMAR1 (0.43) SIGMAR1ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL24254805 0.88 SIGMAR1 (0.34) SIGMAR1ALDH1A1TSHRHSD17B10HPGD
SCHEMBL12937138 0.80 SIGMAR1 (0.38) SIGMAR1ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL1128230 0.77 SIGMAR1 (0.46) SIGMAR1NISCHALDH1A1CYP2A6TSHR
SCHEMBL24254647 0.75 ALOX5 (0.40) ALDH1A1HPGD
SCHEMBL24254738 0.75 MEN1 (0.35) SIGMAR1ALDH1A1TSHRHSD17B10CYP1A2
SCHEMBL29177776 0.75 SIGMAR1 (0.44) SIGMAR1NISCHALDH1A1CYP2A6TSHR
SCHEMBL13338152 0.75 SIGMAR1 (0.50) SIGMAR1ALDH1A1CYP2A6POLBCYP1A2
SCHEMBL6568773 0.74 SIGMAR1 (0.56) SIGMAR1ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL516020 0.74 SIGMAR1 (0.56) SIGMAR1ALDH1A1CYP2A6TSHRHSD17B10

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
WO-2022034907-A1 METAL PATTERNING MATERIAL, AMINE COMPOUND, ELECTRONIC DEVICE, AND METHOD FOR FORMING METAL PATTERN 東ソー株式会社 2022-02-17 WO disclosed