SCHEMBL13599507

SCHEMBL13599507

OOOSc1cc(O)c2cc(Nc3nc(Cl)nc(Cl)n3)ccc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFKB1 P19838 4/20 0.38
▸ CA12 O43570 4/20 0.37
▸ CA1 P00915 4/20 0.37
▸ CA2 P00918 4/20 0.37
▸ CA9 Q16790 4/20 0.37
▸ CA14 Q9ULX7 1/20 0.37
▸ TERT O14746 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ MAPT P10636 3/20 0.36
▸ TXN P10599 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ CACNA1B Q00975 1/20 0.35
▸ APBA1 Q02410 1/20 0.35
▸ POLB P06746 2/20 0.35
▸ APP P05067 3/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ NSD2 O96028 1/20 0.33
▸ DUSP3 P51452 1/20 0.33

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
SCHEMBL13599506 0.90 PRMT1 (0.39) NFKB1CA12CA1CA2CA9
SCHEMBL13599522 0.81 MAPT (0.34) NFKB1CA12CA1CA2CA9
SCHEMBL14259347 0.80 NSD2 (0.53) KDM4EMAPTMEN1KMT2AMAPK1
SCHEMBL14259365 0.76 PRMT1 (0.47) SMN1; SMN2NSD2DUSP3PTPN5CASP7
SCHEMBL14013107 0.74 ENPP2 (0.36) CARM1PRMT1
SCHEMBL14021962 0.73 NFKB1 (0.40) NFKB1CA12CA1CA2CA9
SCHEMBL14259350 0.73 PRMT1 (0.44) CA12CA1CA2CA9CA14
SCHEMBL10791574 0.72 NSD2 (0.64) CA12CA1CA2CA9CA14
SCHEMBL13252180 0.72 CYP3A4 (0.37) PTPN11
SCHEMBL14201370 0.72 ALDH1A1 (0.45) CA12CA1CA2CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7637964-B2 Dye mixtures of fiber-reactive azo dyes, their preparation and their use DYSTAR TEXTILFARBEN GMBH & CO. (DE) 2009-12-29 — — US disclosed
US-20080274287-A1 Dye Mixtures Of Fiber-Reactive Azo Dyes, Their Preparation And Their Use DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2008-11-06 — — US disclosed
US-7429279-B2 Dye mixtures of fiber-reactive AZO dyes, their preparation and their use DYSTAR TEXTILFARBEN GMBH + CO. DEUTSCHLAND KG (DE) 2008-09-30 — — US disclosed
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