SCHEMBL31492016

SCHEMBL31492016

Oc1[nH]c2c(F)cccc2c1N=NC(=S)Nc1ccc(F)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA11 O75493 4/20 0.75
CA1 P00915 4/20 0.75
CA2 P00918 4/20 0.75
CA9 Q16790 4/20 0.75
MAPT P10636 4/20 0.57
TDP1 Q9NUW8 4/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
GAA P10253 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
HCRTR1 O43613 1/20 0.57
LMNA P02545 1/20 0.57
UBE2N P61088 1/20 0.57
HTT P42858 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
RPS6KA1 Q15418 1/20 0.52
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.51
THRB P10828 1/20 0.51
ATM Q13315 1/20 0.51

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
SCHEMBL30260537 0.72 MAPT (0.85) CA11CA1CA2CA9MAPT
SCHEMBL30260542 0.66 MAPT (1.00) CA11CA1CA2CA9MAPT
SCHEMBL30260530 0.61 MAPT (0.70) CA11CA1CA2CA9MAPT
SCHEMBL12836460 0.58 FEN1 (0.52) CA9
SCHEMBL10099725 0.57 GAA (0.83) CA1CA2CA9MAPTMEN1
SCHEMBL23483662 0.57 FAAH (0.74) CA11CA1CA2CA9MAPT
SCHEMBL30260628 0.57 FAAH (0.74) CA11CA1CA2CA9MAPT
SCHEMBL23483677 0.56 MAPT (0.67) MAPTTDP1MEN1KMT2AGAA
SCHEMBL29562326 0.55 MAPT (1.00) MAPTTDP1MEN1KMT2AGAA
SCHEMBL5830361 0.55 IMPDH2 (0.59) MAPTTDP1THRB

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-2025046420-A1 COMPOUND TARGETING EGR-1 AND USE THEREOF FOR TREATMENT OF ATOPIC DERMATITIS 주식회사 아제라메디 2025-03-06 WO disclosed