SCHEMBL24358520

SCHEMBL24358520

O=S(=O)(O)c1cccc2cccc(/N=N/c3c(O)ccc4ccc(O)cc34)c12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MPL P40238 7/20 0.65
▸ CYP1A2 P05177 3/20 0.58
▸ CYP2C9 P11712 2/20 0.58
▸ HIF1A Q16665 2/20 0.58
▸ TSHR P16473 1/20 0.58
▸ PTPRA P18433 1/20 0.58
▸ PTPRB P23467 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ RAPGEF4 Q8WZA2 1/20 0.58
▸ HSD17B10 Q99714 1/20 0.58
▸ MAPK1 P28482 4/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ CTRC Q99895 2/20 0.55
▸ MMP14 P50281 2/20 0.50
▸ NSD2 O96028 1/20 0.50
▸ CASP6 P55212 1/20 0.50
▸ MAPT P10636 3/20 0.49
▸ GAA P10253 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ TDP1 Q9NUW8 2/20 0.49

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
SCHEMBL24358519 0.93 MPL (0.65) MPLCYP1A2CYP2C9HIF1ATSHR
SCHEMBL21686432 0.89 CYP1A2 (0.68) MPLCYP1A2CYP2C9HIF1ATSHR
SCHEMBL21686458 0.87 MPL (0.59) MPLCYP1A2CYP2C9HIF1ATSHR
SCHEMBL21686435 0.82 NSD2 (0.56) MPLCYP1A2CYP2C9HIF1ATSHR
SCHEMBL31498510 0.80 MAPK1 (0.83) MPLCYP1A2CYP2C9HIF1ATSHR
SCHEMBL24358518 0.80 MPL (0.67) MPLCYP1A2CYP2C9HIF1ATSHR
SCHEMBL4532471 0.79 MPL (0.71) MPLCYP1A2CYP2C9HIF1ATSHR
SCHEMBL31183028 0.79 MPL (0.71) MPLCYP1A2CYP2C9HIF1ATSHR
SCHEMBL4532468 0.79 MPL (0.71) MPLCYP1A2CYP2C9HIF1ATSHR
SCHEMBL1807925 0.78 MPL (0.51) MPLCYP1A2CTRCMAPTKMT2A

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-3362518-B1 SENSOR DYES FOR REAL-TIME SENSING OF METAL IONS IN AQUEOUS ENVIRONMENTS THE UWM RES FOUNDATION INC (US) 2022-04-27 — — EP disclosed
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