SCHEMBL13556980

SCHEMBL13556980

Cc1ccc(O)c(/N=N/c2c(S(=O)(=O)O)cc3cc(C)ccc3c2O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MPL P40238 2/20 0.61
▸ ALDH1A1 P00352 1/20 0.56
▸ HIF1A Q16665 1/20 0.56
▸ ENPP2 Q13822 6/20 0.55
▸ CYP1A2 P05177 2/20 0.49
▸ CYP2C9 P11712 2/20 0.49
▸ CD40 P25942 1/20 0.47
▸ CD40LG P29965 1/20 0.47
▸ PRMT1 Q99873 2/20 0.45
▸ PRMT3 O60678 1/20 0.45
▸ EP300 Q09472 1/20 0.45
▸ PRMT6 Q96LA8 1/20 0.45
▸ PHLPP2 Q6ZVD8 1/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA3 P07451 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ DNASE1L3 Q13609 1/20 0.44
▸ CTRC Q99895 1/20 0.44

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
SCHEMBL20746895 0.90 MPL (0.56) MPLALDH1A1HIF1AENPP2CYP1A2
SCHEMBL20306013 0.90 ALDH1A1 (0.58) MPLALDH1A1HIF1AENPP2CYP1A2
SCHEMBL9999809 0.86 CYP1A2 (0.58) MPLALDH1A1HIF1AENPP2CYP1A2
SCHEMBL18218255 0.85 ALDH1A1 (0.56) MPLALDH1A1HIF1AENPP2CYP1A2
SCHEMBL18218254 0.84 ALDH1A1 (0.64) ALDH1A1HIF1AENPP2CYP1A2CYP2C9
SCHEMBL17515765 0.82 PRMT3 (0.53) MPLALDH1A1HIF1AENPP2CYP1A2
SCHEMBL19958091 0.82 PRMT3 (0.53) MPLALDH1A1HIF1AENPP2CYP1A2
SCHEMBL17540328 0.82 PRMT3 (0.53) MPLALDH1A1HIF1AENPP2CYP1A2
SCHEMBL17791867 0.82 PRMT3 (0.64) MPLALDH1A1HIF1AENPP2CYP1A2
SCHEMBL13763553 0.82 ALDH1A1 (0.53) MPLALDH1A1HIF1AENPP2CD40

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
US-8293695-B2 Shading composition BASF SE (DE) 2012-10-23 — — US disclosed
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