SCHEMBL7944958

SCHEMBL7944958

O=[N+]([O-])c1ccccc1Cc1cccccccs1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.50
▸ TSHR P16473 1/20 0.50
▸ HTT P42858 3/20 0.48
▸ HPGD P15428 2/20 0.48
▸ PKM P14618 1/20 0.45
▸ AR P10275 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ KDM1A O60341 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL5838871 0.95 HPGD (0.52) ALDH1A1TSHRHTTHPGDPKM
SCHEMBL301933 0.78 ALDH1A1 (0.69) ALDH1A1TSHRHTTHPGDAR
Ammonia Solution, Strong SCHEMBL10338964 0.77 ALDH1A1 (0.67) ALDH1A1TSHRHTTHPGDAR
SCHEMBL40607 0.75 ALDH1A1 (0.60) ALDH1A1TSHRHTTHPGDAR
SCHEMBL10961879 0.74 ALDH1A1 (0.53) ALDH1A1TSHRHTTHPGDPKM
SCHEMBL31236774 0.73 HPGD (0.67) ALDH1A1HTTHPGDPKMLMNA
Hydrochloric Acid SCHEMBL11063503 0.73 ALDH1A1 (0.52) ALDH1A1TSHRHTTHPGDPKM
SCHEMBL28030573 0.73 CA2 (0.49) PKMKDM4EL3MBTL1MEN1POLB
SCHEMBL3202573 0.72 ALDH1A1 (0.72) ALDH1A1TSHRHTTHPGDL3MBTL1
SCHEMBL30505689 0.72 CYP2C9 (0.50) TSHRHTTHPGDKDM4ELMNA

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-6242428-B1 NUCLEOSIDES AND NUCLEOSIDE DIMERS CONTAINING AN L-SUGAR IN AT LEAST ONE OF THE NUCLEOSIDES UNISEARCH LIMITED (AU) 2001-06-05 — — US claimed
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