SCHEMBL14021965

SCHEMBL14021965

Bc1nc(Cl)nc(Nc2ccc(SOOO)c(N)c2)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NFKB1 P19838 4/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ CACNA1B Q00975 1/20 0.34
▸ APBA1 Q02410 1/20 0.34
▸ CA12 O43570 4/20 0.33
▸ CA1 P00915 4/20 0.33
▸ CA2 P00918 4/20 0.33
▸ CA9 Q16790 4/20 0.33
▸ APP P05067 4/20 0.33
▸ POLB P06746 2/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ TXN P10599 1/20 0.32
▸ CHRNA7 P36544 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ TERT O14746 1/20 0.31

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
SCHEMBL14021962 0.92 NFKB1 (0.40) MAPTSMN1; SMN2NFKB1MEN1KMT2A
SCHEMBL14585736 0.77 SMN1; SMN2 (0.40) MAPTSMN1; SMN2NFKB1MEN1KMT2A
SCHEMBL14010037 0.75 CA9 (0.43) MAPTMEN1KMT2ACACNA1BAPBA1
SCHEMBL14159580 0.73 CA9 (0.39) CA12CA1CA2CA9CA14
SCHEMBL12589917 0.73 NFKB1 (0.36) MAPTSMN1; SMN2NFKB1MEN1KMT2A
SCHEMBL12720883 0.72 CA12 (0.44) CA12CA1CA2CA9POLB
SCHEMBL14004230 0.70 CHAT (0.42) MAPTMEN1KMT2ACACNA1BAPBA1
SCHEMBL14013107 0.68 ENPP2 (0.36) —
SCHEMBL13599506 0.67 PRMT1 (0.39) MAPTSMN1; SMN2NFKB1MEN1KMT2A
SCHEMBL13599507 0.67 NFKB1 (0.38) MAPTSMN1; SMN2NFKB1MEN1KMT2A

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-20080257208-A1 Mixtures of Fibre Reactive Dyes DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2008-10-23 — — US disclosed
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