SCHEMBL12704486

SCHEMBL12704486

Cc1c(C#N)c(NCCO)nc(NCCO)c1/N=N/c1ccc(S(=O)(=O)CCN(CC(C)O)CC(C)O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ MAPT P10636 4/20 0.38
▸ PKM P14618 1/20 0.38
▸ CCNA2 P20248 3/20 0.35
▸ CDK2 P24941 3/20 0.35
▸ CCNA1 P78396 3/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MAPK8 P45983 4/20 0.34
▸ MAPK9 P45984 4/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ GLA P06280 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ HPGD P15428 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ ADORA1 P30542 1/20 0.31
▸ MAPK10 P53779 1/20 0.31
▸ AURKA O14965 1/20 0.30

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
SCHEMBL14541230 0.94 ALDH1A1 (0.34) KMT2AALDH1A1MEN1MAPTPKM
SCHEMBL12704502 0.94 MAPK8 (0.34) KMT2AALDH1A1MEN1MAPTPKM
SCHEMBL12704485 0.91 KMT2A (0.40) KMT2AALDH1A1MEN1MAPTPKM
SCHEMBL13893726 0.90 SYK (0.31) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL13989649 0.87 THRB (0.32) —
SCHEMBL12704484 0.86 KMT2A (0.40) KMT2AALDH1A1MEN1MAPTPKM
SCHEMBL12704542 0.86 CCNA2 (0.34) KMT2AALDH1A1MEN1MAPTPKM
SCHEMBL12704545 0.86 CCNA2 (0.33) KMT2AALDH1A1MEN1MAPTPKM
SCHEMBL12704538 0.84 CA1 (0.34) KMT2AALDH1A1MEN1MAPTPKM
SCHEMBL12704537 0.84 CA1 (0.34) KMT2AALDH1A1MEN1MAPTPKM

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-20110092621-A1 DYES WITH POLYESTER SIDE CHAIN FOR POLYMER-COLORATION, THEIR PREPARATION AND THEIR USE DYSTAR COLOURS DEUTSCHLAND GMBH (DE) 2011-04-21 — — US disclosed
US-20110092621-A1 DYES WITH POLYESTER SIDE CHAIN FOR POLYMER-COLORATION, THEIR PREPARATION AND THEIR USE DYSTAR COLOURS DEUTSCHLAND GMBH (DE) 2011-04-21 — — US disclosed
US-20080312352-A1 Dyes and Dye Mixtures for Dying Polymers, Method for the Production Thereof and Their Use DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2008-12-18 — — US disclosed
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