SCHEMBL29973380

SCHEMBL29973380

C=C(Cc1nc(Cc2ccc(Cl)c(Cl)c2)no1)C(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ ZAP70 P43403 7/20 0.38
▸ SRC P12931 5/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ CRHBP P24387 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ CRHR2 Q13324 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ NR1I3 Q14994 1/20 0.35
▸ PRSS1 P07477 1/20 0.35
▸ PRSS2 P07478 1/20 0.35
▸ PRSS3 P35030 1/20 0.35
▸ TPSAB1 Q15661 1/20 0.35
▸ P2RX7 Q99572 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34

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
SCHEMBL23578299 1.00 TSHR (0.51) TSHRMAPK1TDP1ZAP70SRC
SCHEMBL23578197 0.88 MAPT (0.47) TSHRMAPK1TDP1L3MBTL1ALOX15
SCHEMBL25801776 0.86 MAPT (0.35) TSHRMAPK1TDP1L3MBTL1MAPT
SCHEMBL23588107 0.85 MAPT (0.45) TSHRMAPK1TDP1L3MBTL1ALOX15
SCHEMBL23578293 0.85 TSHR (0.38) TSHRMAPK1TDP1ZAP70SRC
SCHEMBL29973191 0.85 TSHR (0.38) TSHRMAPK1TDP1ZAP70SRC
SCHEMBL23578414 0.84 TP53 (0.38) TSHRMAPK1TDP1MAPTALDH1A1
SCHEMBL23578571 0.84 MAPT (0.35) TSHRMAPK1TDP1L3MBTL1MAPT
SCHEMBL23588088 0.83 TSHR (0.62) TSHRMAPK1TDP1ZAP70SRC
SCHEMBL29844162 0.83 TSHR (0.62) TSHRMAPK1TDP1ZAP70SRC

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-4081511-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMMATORY PROPERTIES Sitryx Therapeutics Limited (GB) 2022-11-02 — — EP disclosed
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