SCHEMBL16062760

SCHEMBL16062760

O=C(O)c1cccc([N+](=O)[O-])c1SC(O)C(O)CS

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.47
▸ ALDH1A1 P00352 5/20 0.40
▸ MAPT P10636 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CTSD P07339 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CYP1A2 P05177 2/20 0.37
▸ DNA2 P51530 1/20 0.37
▸ CASP6 P55212 1/20 0.37
▸ CTDSP1 Q9GZU7 1/20 0.37
▸ DTYMK P23919 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ POLB P06746 2/20 0.36
▸ GPR35 Q9HC97 1/20 0.35

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
SCHEMBL10024457 0.90 TSHR (0.48) TSHRALDH1A1MAPTKDM4EMEN1
SCHEMBL10024482 0.87 TSHR (0.50) TSHRALDH1A1MAPTKDM4EMEN1
SCHEMBL10024450 0.84 TSHR (0.46) TSHRALDH1A1MAPTKDM4EMEN1
SCHEMBL16573837 0.80 KDM4E (0.41) TSHRALDH1A1MAPTKDM4ELMNA
SCHEMBL21802325 0.76 TSHR (0.58) TSHRALDH1A1MAPTKDM4EMEN1
SCHEMBL2213952 0.76 TSHR (0.62) TSHRALDH1A1MAPTKDM4EMEN1
SCHEMBL2762222 0.72 TSHR (0.54) TSHRALDH1A1MAPTKDM4EMEN1
SCHEMBL9657224 0.71 TSHR (0.53) TSHRALDH1A1MAPTKDM4EMEN1
SCHEMBL9087640 0.70 TSHR (0.51) TSHRALDH1A1MAPTKDM4EMEN1
SCHEMBL16063177 0.69 MAPT (0.41) TSHRALDH1A1MAPTKDM4EMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9732382-B2 Photodamage mitigation compounds and systems PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2017-08-15 — — US disclosed
US-20150079603-A1 PHOTODAMAGE MITIGATION COMPOUNDS AND SYSTEMS PACIFIC BIOSCIENCES CALIFORNIA (US) 2015-03-19 — — US disclosed
US-8834847-B2 Photodamage mitigation compounds and systems PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2014-09-16 — — US disclosed
US-8834847-B2 Photodamage mitigation compounds and systems PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2014-09-16 — — US disclosed
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