SCHEMBL13599503

SCHEMBL13599503

Cc1ccc(N=Nc2c(SOOO)cc3cc(Nc4nc(Cl)nc(NC#N)n4)ccc3c2O)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 2/20 0.46
▸ CARM1 Q86X55 1/20 0.46
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ APP P05067 2/20 0.36
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ ENPP2 Q13822 3/20 0.32
▸ PHLPP2 Q6ZVD8 1/20 0.32
▸ RAB9A P51151 1/20 0.31
▸ NFKB1 P19838 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
SCHEMBL12377657 0.92 PRMT1 (0.53) PRMT1CARM1CYP1A2CYP3A4CYP2C9
SCHEMBL12053334 0.83 PRMT1 (0.44) PRMT1CARM1ENPP2PHLPP2
SCHEMBL13599505 0.82 CARM1 (0.36) PRMT1CARM1CYP1A2CYP2C9
SCHEMBL14362772 0.80 PRMT1 (0.56) PRMT1CARM1MEN1KMT2AENPP2
SCHEMBL13088656 0.80 PHLPP2 (0.38) PRMT1CARM1CYP1A2CYP2C9MEN1
SCHEMBL13860892 0.77 PRMT1 (0.40) PRMT1CARM1ENPP2PHLPP2
SCHEMBL11911530 0.77 CYP1A2 (0.39) CYP1A2CYP3A4CYP2C9CYP2C19HTT
SCHEMBL13860845 0.77 CARM1 (0.39) PRMT1CARM1MEN1KMT2AENPP2
SCHEMBL13387299 0.76 FUT8 (0.43) PRMT1CARM1CYP1A2APPMEN1
SCHEMBL12377654 0.76 PRMT1 (0.49) PRMT1CARM1CYP1A2CYP2C9NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7632316-B2 Reactive dyestuff, method for production thereof and use of the same DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2009-12-15 — — US disclosed
US-20080189880-A1 Reactive Dyestuff, Method For Production Thereof and Use of the Same DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2008-08-14 — — US disclosed
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