SCHEMBL14021962

SCHEMBL14021962

Nc1cc(Nc2nc(Cl)nc(Cl)n2)ccc1SOOO

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NFKB1 P19838 4/20 0.40
▸ CA12 O43570 5/20 0.40
▸ CA1 P00915 5/20 0.40
▸ CA2 P00918 5/20 0.40
▸ CA9 Q16790 5/20 0.40
▸ CA14 Q9ULX7 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPT P10636 3/20 0.38
▸ TXN P10599 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ CACNA1B Q00975 1/20 0.37
▸ APBA1 Q02410 1/20 0.37
▸ POLB P06746 2/20 0.37
▸ APP P05067 4/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.34
▸ TERT O14746 1/20 0.34

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
SCHEMBL14021965 0.92 MAPT (0.35) NFKB1CA12CA1CA2CA9
SCHEMBL14585736 0.82 SMN1; SMN2 (0.40) NFKB1CA12CA1CA2CA9
SCHEMBL14010037 0.80 CA9 (0.43) CA12CA1CA2CA9CA14
SCHEMBL14159580 0.78 CA9 (0.39) CA12CA1CA2CA9CA14
SCHEMBL12589917 0.78 NFKB1 (0.36) NFKB1CA12CA1CA2CA9
SCHEMBL14004230 0.75 CHAT (0.42) CA12CA1CA2CA9CA14
SCHEMBL14013107 0.75 ENPP2 (0.36) —
SCHEMBL13599507 0.73 NFKB1 (0.38) NFKB1CA12CA1CA2CA9
SCHEMBL13599506 0.73 PRMT1 (0.39) NFKB1CA12CA1CA2CA9
SCHEMBL13715757 0.71 AURKA (0.34) NFKB1KDM4EMAPTSMN1; SMN2MEN1

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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